CAS RN: 136051-63-3
CAS Name: (Z)-2-methyl-2-butenoic acid [(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] ester
OPENEYE Name: [(3S,3aR,6R,6aS,8R,9bS)-6-acetoxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(3S,3aR,6R,6aS,8R,9bS)-6-acetyloxy-4-butanoyloxy-3,6,9-trimethyl-3,3a-bis(oxidanyl)-2-oxidanylidene-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-8-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C26H36O10
MOLECULAR WEIGHT: 508.55804
SMILES: CCCC(=O)OC1C[C@@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C
Structure:
CAS RN: 135819-58-8
CAS Name: (5E,9E,14E)-11-[[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]thio]-8,12-dihydroxyeicosa-5,9,14-trienoic acid
OPENEYE Name: (5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-8,12-dihydroxy-icosa-5,9,14-trienoic acid
IUPAC Name: (5E,9E,14E)-11-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-8,12-dihydroxyicosa-5,9,14-trienoic acid
SYSTEMATIC NAME: (5E,9E,14E)-11-[(2R)-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-8,12-bis(oxidanyl)icosa-5,9,14-trienoic acid
MOLECULAR FORMULA: C25H42N2O7S
MOLECULAR WEIGHT: 514.67518
SMILES: CCCCC/C=C/CC(C(/C=C/C(C/C=C/CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N)O
Structure:
CAS RN: 135626-20-9
CAS Name: benzoic acid [(2E,5E)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] ester
OPENEYE Name: [(2E,5E)-7-ethoxy-4,7-dioxo-hepta-2,5-dienyl] benzoate
IUPAC Name: [(2E,5E)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] benzoate
SYSTEMATIC NAME: [(2E,5E)-7-ethoxy-4,7-bis(oxidanylidene)hepta-2,5-dienyl] benzoate
MOLECULAR FORMULA: C16H16O5
MOLECULAR WEIGHT: 288.29524
SMILES: CCOC(=O)/C=C/C(=O)/C=C/COC(=O)C1=CC=CC=C1
Structure:
CAS RN: 135608-06-9
CAS Name: 7-[2-[2-[3-(6-carboxyhexyl)-4-[(E)-4,4-dimethyl-3-oxooct-1-enyl]-2-oxo-1-cyclopent-3-enyl]-4,4-dimethyl-3-oxooctyl]-5-oxo-1-cyclopentenyl]heptanoic acid
OPENEYE Name: 7-[2-[2-[3-(6-carboxyhexyl)-4-[(E)-4,4-dimethyl-3-oxo-oct-1-enyl]-2-oxo-cyclopent-3-en-1-yl]-4,4-dimethyl-3-oxo-octyl]-5-oxo-cyclopenten-1-yl]heptanoic acid
IUPAC Name: 7-[2-[2-[3-(6-carboxyhexyl)-4-[(E)-4,4-dimethyl-3-oxooct-1-enyl]-2-oxocyclopent-3-en-1-yl]-4,4-dimethyl-3-oxooctyl]-5-oxocyclopenten-1-yl]heptanoic acid
SYSTEMATIC NAME: 7-[2-[2-[4-[(E)-4,4-dimethyl-3-oxidanylidene-oct-1-enyl]-2-oxidanylidene-3-(7-oxidanyl-7-oxidanylidene-heptyl)cyclopent-3-en-1-yl]-4,4-dimethyl-3-oxidanylidene-octyl]-5-oxidanylidene-cyclopenten-1-yl]heptanoic acid
MOLECULAR FORMULA: C44H68O8
MOLECULAR WEIGHT: 725.00592
SMILES: CCCCC(C)(C)C(=O)/C=C/C1=C(C(=O)C(C1)C(CC2=C(C(=O)CC2)CCCCCCC(=O)O)C(=O)C(C)(C)CCCC)CCCCCCC(=O)O
Structure:
CAS RN: 135357-96-9
CAS Name: 2-aminoacetic acid [(2S,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyl-3-oxanyl] ester
OPENEYE Name: [(2S,3S,4R,5R)-4-methoxy-5-methyl-2-[(1E,3E,5E)-1-methylnona-1,3,5-trienyl]tetrahydropyran-3-yl] 2-aminoacetate
IUPAC Name: [(2S,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
SYSTEMATIC NAME: [(2S,3S,4R,5R)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-4-methoxy-5-methyl-oxan-3-yl] 2-azanylethanoate
MOLECULAR FORMULA: C19H31NO4
MOLECULAR WEIGHT: 337.45374
SMILES: CCC/C=C/C=C/C=C(\C)/[C@H]1[C@H]([C@@H]([C@@H](CO1)C)OC)OC(=O)CN
Structure:
CAS RN: 135017-85-5
CAS Name: (E)-2-butenedioic acid; 2-[1-[2-[[5-(1-piperidinylmethyl)-2-furanyl]methylamino]ethyl]-2-imidazolidinylidene]propanedinitrile
OPENEYE Name: fumaric acid; 2-[1-[2-[[5-(1-piperidylmethyl)-2-furyl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
IUPAC Name: (E)-but-2-enedioic acid; 2-[1-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[1-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
MOLECULAR FORMULA: C23H30N6O5
MOLECULAR WEIGHT: 470.5215
SMILES: C1CCN(CC1)CC2=CC=C(O2)CNCCN3CCNC3=C(C#N)C#N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 134985-01-6
CAS Name: 4-hydroxy-3-[(E)-5-hydroxy-4-methylpent-3-enyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
OPENEYE Name: 4-hydroxy-3-[(E)-5-hydroxy-4-methyl-pent-3-enyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
IUPAC Name: 4-hydroxy-3-[(E)-5-hydroxy-4-methylpent-3-enyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione
SYSTEMATIC NAME: 7-methoxy-2,3,8-trimethyl-3-[(E)-4-methyl-5-oxidanyl-pent-3-enyl]-4-oxidanyl-2H-benzo[g][1]benzofuran-6,9-dione
MOLECULAR FORMULA: C22H26O6
MOLECULAR WEIGHT: 386.43824
SMILES: CC1C(C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)OC)C)O)(C)CC/C=C(\C)/CO
Structure:
CAS RN: 134985-00-5
CAS Name: 4-hydroxy-3-[(1E,3E)-5-hydroxy-4-methylpenta-1,3-dienyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
OPENEYE Name: 4-hydroxy-3-[(1E,3E)-5-hydroxy-4-methyl-penta-1,3-dienyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g]benzofuran-6,9-dione
IUPAC Name: 4-hydroxy-3-[(1E,3E)-5-hydroxy-4-methylpenta-1,3-dienyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione
SYSTEMATIC NAME: 7-methoxy-2,3,8-trimethyl-3-[(1E,3E)-4-methyl-5-oxidanyl-penta-1,3-dienyl]-4-oxidanyl-2H-benzo[g][1]benzofuran-6,9-dione
MOLECULAR FORMULA: C22H24O6
MOLECULAR WEIGHT: 384.42236
SMILES: CC1C(C2=C(C=C3C(=C2O1)C(=O)C(=C(C3=O)OC)C)O)(C)/C=C/C=C(\C)/CO
Structure:
CAS RN: 134965-82-5
CAS Name: 11-[(E)-11-amino-4,8-dihydroxyundec-1-enyl]-5,7,9,28,37,41,43-heptahydroxy-34-(1-hydroxy-4-methyloct-7-enyl)-27,29,40-trimethyl-12,45-dioxabicyclo[39.3.1]pentatetraconta-17,19,21,23,25,31,38-heptaene-13,30-dione
OPENEYE Name: 11-[(E)-11-amino-4,8-dihydroxy-undec-1-enyl]-5,7,9,28,37,41,43-heptahydroxy-34-(1-hydroxy-4-methyl-oct-7-enyl)-27,29,40-trimethyl-12,45-dioxabicyclo[39.3.1]pentatetraconta-17,19,21,23,25,31,38-heptaene-13,30-dione
IUPAC Name: 11-[(E)-11-amino-4,8-dihydroxyundec-1-enyl]-5,7,9,28,37,41,43-heptahydroxy-34-(1-hydroxy-4-methyloct-7-enyl)-27,29,40-trimethyl-12,45-dioxabicyclo[39.3.1]pentatetraconta-17,19,21,23,25,31,38-heptaene-13,30-dione
SYSTEMATIC NAME: 11-[(E)-11-azanyl-4,8-bis(oxidanyl)undec-1-enyl]-27,29,40-trimethyl-34-(4-methyl-1-oxidanyl-oct-7-enyl)-5,7,9,28,37,41,43-heptakis(oxidanyl)-12,45-dioxabicyclo[39.3.1]pentatetraconta-17,19,21,23,25,31,38-heptaene-13,30-dione
MOLECULAR FORMULA: C66H109NO14
MOLECULAR WEIGHT: 1140.56996
SMILES: CC1C=CC=CC=CC=CC=CCCCC(=O)OC(CC(CC(CC(CCCC2CC(CC(O2)(C(C=CC(CCC(CC=CC(=O)C(C1O)C)C(CCC(C)CCC=C)O)O)C)O)O)O)O)O)/C=C/CC(CCCC(CCCN)O)O
Structure:
CAS RN: 134907-17-8
CAS Name: (E)-N-methyl-3-(4-methylsulfonylphenyl)-N-[4-[[1-(phenylmethyl)-4-piperidinyl]sulfamoyl]phenyl]-2-propenamide
OPENEYE Name: (E)-N-[4-[(1-benzyl-4-piperidyl)sulfamoyl]phenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide
IUPAC Name: (E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-N-methyl-3-(4-methylsulfonylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-methyl-3-(4-methylsulfonylphenyl)-N-[4-[[1-(phenylmethyl)piperidin-4-yl]sulfamoyl]phenyl]prop-2-enamide
MOLECULAR FORMULA: C29H33N3O5S2
MOLECULAR WEIGHT: 567.71942
SMILES: CN(C1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)/C=C/C4=CC=C(C=C4)S(=O)(=O)C
Structure:
CAS RN: 134876-72-5
CAS Name: (2S,3S,4S,5R,6R)-2-[[2-[(2Z,5Z,7Z,9R,10R,11Z)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridinyl]oxy]-6-methyloxane-3,4,5-triol
OPENEYE Name: (2S,3S,4S,5R,6R)-2-[[2-[(2Z,5Z,7Z,9R,10R,11Z)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridyl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3S,4S,5R,6R)-2-[2-[(2Z,5Z,7Z,9R,10R,11Z)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methylpyridin-4-yl]oxy-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-2-[2,3-dimethoxy-5-methyl-6-[(2Z,5Z,7Z,9R,10R,11Z)-3,7,9,11-tetramethyl-10-oxidanyl-trideca-2,5,7,11-tetraenyl]pyridin-4-yl]oxy-6-methyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C31H47NO8
MOLECULAR WEIGHT: 561.70678
SMILES: C/C=C(/C)\[C@@H]([C@H](C)/C=C(/C)\C=C/C/C(=C\CC1=NC(=C(C(=C1C)O[C@H]2[C@H]([C@H]([C@H]([C@H](O2)C)O)O)O)OC)OC)/C)O
Structure:
CAS RN: 134869-15-1
CAS Name: 4-[(Z)-2-hydroxy-5-methyl-7-[(4Z,6Z,10Z)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione
OPENEYE Name: 4-[(Z)-2-hydroxy-5-methyl-7-[(4Z,6Z,10Z)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxo-oct-6-enyl]piperidine-2,6-dione
IUPAC Name: 4-[(Z)-2-hydroxy-5-methyl-7-[(4Z,6Z,10Z)-3-methyl-12-oxo-1-oxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-enyl]piperidine-2,6-dione
SYSTEMATIC NAME: 4-[(Z)-5-methyl-7-[(4Z,6Z,10Z)-3-methyl-12-oxidanylidene-1-oxacyclododeca-4,6,10-trien-2-yl]-2-oxidanyl-4-oxidanylidene-oct-6-enyl]piperidine-2,6-dione
MOLECULAR FORMULA: C26H35NO6
MOLECULAR WEIGHT: 457.5592
SMILES: CC1/C=C\C=C/CC/C=C\C(=O)OC1/C(=C\C(C)C(=O)CC(CC2CC(=O)NC(=O)C2)O)/C
Structure:
CAS RN: 134615-37-5
CAS Name: (2E,6E,8E)-10-[9-butyl-10-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-9-(3-carboxy-1-oxopropoxy)-3-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
OPENEYE Name: (2E,6E,8E)-10-[9-butyl-10-[(1E,3E)-4-carboxy-3-methyl-buta-1,3-dienyl]-9-(3-carboxypropanoyloxy)-3-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-5-hydroxy-4,8-dimethyl-deca-2,6,8-trienoic acid
IUPAC Name: (2E,6E,8E)-10-[9-butyl-10-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-9-(3-carboxypropanoyloxy)-3-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
SYSTEMATIC NAME: (2E,6E,8E)-10-[9-butyl-3-methyl-10-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-9-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-5,11-dioxaspiro[5.5]undecan-4-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid
MOLECULAR FORMULA: C36H52O11
MOLECULAR WEIGHT: 660.79148
SMILES: CCCCC1(CCC2(CCC(C(O2)C/C=C(\C)/C=C/C(C(C)/C=C/C(=O)O)O)C)OC1/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O
Structure:
CAS RN: 134564-84-4
CAS Name: [2-oxo-2-[5-oxo-2-[(E)-2-phenylethenyl]-2H-furan-4-yl]ethyl]-triphenylphosphonium bromide
OPENEYE Name: [2-oxo-2-[5-oxo-2-[(E)-styryl]-2H-furan-4-yl]ethyl]-triphenyl-phosphonium bromide
IUPAC Name: [2-oxo-2-[5-oxo-2-[(E)-2-phenylethenyl]-2H-furan-4-yl]ethyl]-triphenylphosphanium bromide
SYSTEMATIC NAME: [2-oxidanylidene-2-[5-oxidanylidene-2-[(E)-2-phenylethenyl]-2H-furan-4-yl]ethyl]-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C32H26BrO3P
MOLECULAR WEIGHT: 569.424801
SMILES: C1=CC=C(C=C1)/C=C/C2C=C(C(=O)O2)C(=O)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]
Structure:
CAS RN: 134564-83-3
CAS Name: (2Z)-2-[(E)-3-(3,3-dimethyl-1-propyl-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethyl-1-propylindole iodide
OPENEYE Name: 2-[(E,3Z)-3-(3,3-dimethyl-1-propyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-1-propyl-indol-1-ium iodide
IUPAC Name: (2Z)-2-[(E)-3-(3,3-dimethyl-1-propylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-propylindole iodide
SYSTEMATIC NAME: (2Z)-2-[(E)-3-(3,3-dimethyl-1-propyl-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-propyl-indole iodide
MOLECULAR FORMULA: C29H37IN2
MOLECULAR WEIGHT: 540.52195
SMILES: CCCN\1C2=CC=CC=C2C(/C1=C/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)CCC)(C)C.[I-]
Structure:
CAS RN: 134523-85-6
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-(7-ethyl-7-hydroxynonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-(6-ethyl-6-hydroxy-1-methyl-octyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-(7-ethyl-7-hydroxynonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-(7-ethyl-7-oxidanyl-nonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C30H50O3
MOLECULAR WEIGHT: 458.7162
SMILES: CCC(CC)(CCCCC(C)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C)O
Structure:
CAS RN: 134508-36-4
CAS Name: (5E)-5-[(2E)-2-[1-[(E)-6-ethyl-6-hydroxyoct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (5E)-5-[(2E)-2-[1-[(E)-5-ethyl-5-hydroxy-1-methyl-hept-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (5E)-5-[(2E)-2-[1-[(E)-6-ethyl-6-hydroxyoct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (5E)-5-[(2E)-2-[1-[(E)-6-ethyl-6-oxidanyl-oct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C29H46O3
MOLECULAR WEIGHT: 442.67374
SMILES: CCC(CC)(C/C=C/C(C)C1CCC\2C1(CCC/C2=C\C=C\3/CC(CC(C3=C)O)O)C)O
Structure:
CAS RN: 134470-36-3
CAS Name: N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
OPENEYE Name: N-hydroxy-N-[(E)-1-methyl-3-(3-phenoxyphenyl)allyl]acetamide
IUPAC Name: N-hydroxy-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
SYSTEMATIC NAME: N-oxidanyl-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]ethanamide
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CC(/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2)N(C(=O)C)O
Structure:
CAS RN: 77220-88-3
CAS Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-fluoranyloct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H33FO4
MOLECULAR WEIGHT: 356.472023
SMILES: CCCCCC(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)F
Structure:
CAS RN: 134311-09-4
CAS Name: hexadecyl-dimethyl-[(E)-octadec-9-enyl]ammonium chloride
OPENEYE Name: hexadecyl-dimethyl-[(E)-octadec-9-enyl]ammonium chloride
IUPAC Name: hexadecyl-dimethyl-[(E)-octadec-9-enyl]azanium chloride
SYSTEMATIC NAME: hexadecyl-dimethyl-[(E)-octadec-9-enyl]azanium chloride
MOLECULAR FORMULA: C36H74ClN
MOLECULAR WEIGHT: 556.43246
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCC/C=C/CCCCCCCC.[Cl-]
Structure:
CAS RN: 134235-42-0
CAS Name: (8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-17-[(E)-3-hydroxyprop-1-enyl]-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,11R,13S,14S,17S)-11-(4-ethanoylphenyl)-13-methyl-17-oxidanyl-17-[(E)-3-oxidanylprop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C29H34O4
MOLECULAR WEIGHT: 446.57786
SMILES: CC(=O)C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@@]3(/C=C/CO)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C
Structure:
CAS RN: 134152-12-8
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-(1-oxopropoxy)oct-1-enyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester
OPENEYE Name: isopropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-propanoyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
IUPAC Name: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-propanoyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-propanoyloxyoct-1-enyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C26H44O6
MOLECULAR WEIGHT: 452.62396
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O)O)OC(=O)CC
Structure:
CAS RN: 133943-51-8
CAS Name: (E)-3-[1-[(E)-but-2-en-2-yl]-10-formyl-9-hydroxy-3-methoxy-4-methyl-6-oxo-7-benzo[b][1,4]benzodioxepinyl]-2-butenoic acid
OPENEYE Name: (E)-3-[10-formyl-9-hydroxy-3-methoxy-4-methyl-1-[(E)-1-methylprop-1-enyl]-6-oxo-benzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid
IUPAC Name: (E)-3-[1-[(E)-but-2-en-2-yl]-10-formyl-9-hydroxy-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid
SYSTEMATIC NAME: (E)-3-[1-[(E)-but-2-en-2-yl]-10-methanoyl-3-methoxy-4-methyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid
MOLECULAR FORMULA: C24H22O8
MOLECULAR WEIGHT: 438.42668
SMILES: C/C=C(\C)/C1=CC(=C(C2=C1OC3=C(C(=CC(=C3C=O)O)/C(=C/C(=O)O)/C)C(=O)O2)C)OC
Structure:
CAS RN: 133943-50-7
CAS Name: (E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxo-7-benzo[b][1,4]benzodioxepinyl]-2-butenoic acid
OPENEYE Name: (E)-3-[9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-1-[(E)-1-methylprop-1-enyl]-6-oxo-benzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid
IUPAC Name: (E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid
SYSTEMATIC NAME: (E)-3-[1-[(E)-but-2-en-2-yl]-10-(hydroxymethyl)-3-methoxy-4-methyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid
MOLECULAR FORMULA: C24H24O8
MOLECULAR WEIGHT: 440.44256
SMILES: C/C=C(\C)/C1=CC(=C(C2=C1OC3=C(C(=CC(=C3CO)O)/C(=C/C(=O)O)/C)C(=O)O2)C)OC
Structure:
CAS RN: 133906-74-8
CAS Name: 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,4S)-4-hydroxy-4-methyloct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
OPENEYE Name: 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,4S)-4-hydroxy-4-methyl-oct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
IUPAC Name: 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,4S)-4-hydroxy-4-methyloct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
SYSTEMATIC NAME: 5-[(3aS,5R,6R,6aS)-6-[(E,4S)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
MOLECULAR FORMULA: C22H36O4
MOLECULAR WEIGHT: 364.51884
SMILES: CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O)O
Structure:
CAS RN: 133800-88-1
CAS Name: (E)-4-(3-octadecan-4-ylphenyl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-oxo-4-[3-(1-propylpentadecyl)phenyl]but-2-enoic acid
IUPAC Name: (E)-4-(3-octadecan-4-ylphenyl)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(3-octadecan-4-ylphenyl)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C28H44O3
MOLECULAR WEIGHT: 428.64716
SMILES: CCCCCCCCCCCCCCC(CCC)C1=CC=CC(=C1)C(=O)/C=C/C(=O)O
Structure:
CAS RN: 133774-80-8
CAS Name: (1R)-4-(2H-cyclopenta[b]furan-5-yl)-3-oxo-4-phenyl-1-cyclohexanecarboxylic acid [(E)-3-oxo-5-(3-pyridinyl)pent-1-enyl] ester
OPENEYE Name: [(E)-3-oxo-5-(3-pyridyl)pent-1-enyl] (1R)-4-(2H-cyclopenta[b]furan-5-yl)-3-oxo-4-phenyl-cyclohexanecarboxylate
IUPAC Name: [(E)-3-oxo-5-pyridin-3-ylpent-1-enyl] (1R)-4-(2H-cyclopenta[b]furan-5-yl)-3-oxo-4-phenylcyclohexane-1-carboxylate
SYSTEMATIC NAME: [(E)-3-oxidanylidene-5-pyridin-3-yl-pent-1-enyl] (1R)-4-(2H-cyclopenta[b]furan-5-yl)-3-oxidanylidene-4-phenyl-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C30H27NO5
MOLECULAR WEIGHT: 481.53908
SMILES: C1CC(C(=O)C[C@@H]1C(=O)O/C=C/C(=O)CCC2=CN=CC=C2)(C3=CC=CC=C3)C4=CC5=CCOC5=C4
Structure:
CAS RN: 133733-42-3
CAS Name: [(E,2S,3R)-3-hydroxy-2-[[(Z)-1-oxo-3-(1-pyrenyl)prop-2-enyl]amino]octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(E,2S,3R)-3-hydroxy-2-[[(Z)-3-pyren-1-ylprop-2-enoyl]amino]octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(E,2S,3R)-3-hydroxy-2-[[(Z)-3-pyren-1-ylprop-2-enoyl]amino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(E,2S,3R)-3-oxidanyl-2-[[(Z)-3-pyren-1-ylprop-2-enoyl]amino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C42H59N2O6P
MOLECULAR WEIGHT: 718.901421
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)/C=C\C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O
Structure:
CAS RN: 133733-41-2
CAS Name: [(E,2S,3R)-3-hydroxy-2-[[1-oxo-11-(1-pyrenylsulfonylamino)undecyl]amino]octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(E,2S,3R)-3-hydroxy-2-[11-(pyren-1-ylsulfonylamino)undecanoylamino]octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(E,2S,3R)-3-hydroxy-2-[11-(pyren-1-ylsulfonylamino)undecanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(E,2S,3R)-3-oxidanyl-2-[11-(pyren-1-ylsulfonylamino)undecanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C50H78N3O8PS
MOLECULAR WEIGHT: 912.208381
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCNS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O
Structure:
CAS RN: 133705-27-8
CAS Name: 2-[2-[[1-carboxy-5-[hydroxy-[(E)-1-oxo-3-phenylprop-2-enyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: 2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxo-ethyl]-2-hydroxy-4-[[(1S)-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxycarbonyl-pentyl]amino]-4-oxo-butanoic acid
IUPAC Name: 2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 2-[2-[[(2S)-1-methoxy-1-oxidanylidene-6-[oxidanyl-[(E)-3-phenylprop-2-enoyl]amino]hexan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-4-[[1-oxidanyl-1-oxidanylidene-6-[oxidanyl-[(E)-3-phenylprop-2-enoyl]amino]hexan-2-yl]amino]butanoic acid
MOLECULAR FORMULA: C37H46N4O13
MOLECULAR WEIGHT: 754.78014
SMILES: COC(=O)[C@H](CCCCN(C(=O)/C=C/C1=CC=CC=C1)O)NC(=O)CC(CC(=O)NC(CCCCN(C(=O)/C=C/C2=CC=CC=C2)O)C(=O)O)(C(=O)O)O
Structure:
CAS RN: 133705-26-7
CAS Name: 4-[[(1S)-1-carboxy-5-[hydroxy-[(Z)-1-oxo-3-phenylprop-2-enyl]amino]pentyl]amino]-2-[2-[[(1S)-1-carboxy-5-[hydroxy-[(E)-1-oxo-3-phenylprop-2-enyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
OPENEYE Name: 4-[[(1S)-1-carboxy-5-[hydroxy-[(Z)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-[2-[[(1S)-1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxo-ethyl]-2-hydroxy-4-oxo-butanoic acid
IUPAC Name: 4-[[(1S)-1-carboxy-5-[hydroxy-[(Z)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-[2-[[(1S)-1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
SYSTEMATIC NAME: 2-oxidanyl-4-oxidanylidene-2-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-1-oxidanylidene-6-[oxidanyl-[(E)-3-phenylprop-2-enoyl]amino]hexan-2-yl]amino]ethyl]-4-[[(2S)-1-oxidanyl-1-oxidanylidene-6-[oxidanyl-[(Z)-3-phenylprop-2-enoyl]amino]hexan-2-yl]amino]butanoic
MOLECULAR FORMULA: C36H44N4O13
MOLECULAR WEIGHT: 740.75356
SMILES: C1=CC=C(C=C1)/C=C/C(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)/C=C\C2=CC=CC=C2)O)C(=O)O)(C(=O)O)O)O
Structure:
CAS RN: 133658-51-2
CAS Name: (2S)-2-[(E)-2-benzamido-1-oxo-3-(4-phenyldiazenylphenyl)prop-2-enoxy]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[(E)-2-benzamido-3-(4-phenylazophenyl)prop-2-enoyl]oxy-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[(E)-2-benzamido-3-(4-phenyldiazenylphenyl)prop-2-enoyl]oxy-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[(E)-2-benzamido-3-(4-phenyldiazenylphenyl)prop-2-enoyl]oxy-3-phenyl-propanoic acid
MOLECULAR FORMULA: C31H25N3O5
MOLECULAR WEIGHT: 519.5473
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)OC(=O)/C(=C\C2=CC=C(C=C2)N=NC3=CC=CC=C3)/NC(=O)C4=CC=CC=C4
Structure:
CAS RN: 133658-50-1
CAS Name: (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamido-1-oxoprop-2-enoxy]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamido-prop-2-enoyl]oxy-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamidoprop-2-enoyl]oxy-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamido-prop-2-enoyl]oxy-3-phenyl-propanoic acid
MOLECULAR FORMULA: C25H22N2O5
MOLECULAR WEIGHT: 430.45258
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)OC(=O)/C(=C\C2=CC=C(C=C2)N)/NC(=O)C3=CC=CC=C3
Structure:
CAS RN: 133538-58-6
CAS Name: (E)-7-[3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
IUPAC Name: (E)-7-[3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H30INO4S
MOLECULAR WEIGHT: 531.44737
SMILES: CC1(C2CC1C(C(C2)NS(=O)(=O)C3=CC=C(C=C3)I)C/C=C/CCCC(=O)O)C
Structure:
CAS RN: 133530-13-9
CAS Name: (11E,15E)-eicosa-11,15-dienoic acid
OPENEYE Name: (11E,15E)-icosa-11,15-dienoic acid
IUPAC Name: (11E,15E)-icosa-11,15-dienoic acid
SYSTEMATIC NAME: (11E,15E)-icosa-11,15-dienoic acid
MOLECULAR FORMULA: C20H36O2
MOLECULAR WEIGHT: 308.49864
SMILES: CCCC/C=C/CC/C=C/CCCCCCCCCC(=O)O
Structure:
CAS RN: 133470-56-1
CAS Name: (2R,3S,4R,5R)-2-[(3E,5Z)-6-[4-ethenyl-4-methyl-3-(1-methylethenyl)cyclohexyl]-2-methylhepta-3,5-dien-2-yl]oxyoxane-3,4,5-triol
OPENEYE Name: (2R,3S,4R,5R)-2-[(2E,4Z)-5-(3-isopropenyl-4-methyl-4-vinyl-cyclohexyl)-1,1-dimethyl-hexa-2,4-dienoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4R,5R)-2-[(3E,5Z)-6-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)-2-methylhepta-3,5-dien-2-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-[(3E,5Z)-6-(4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl)-2-methyl-hepta-3,5-dien-2-yl]oxyoxane-3,4,5-triol
MOLECULAR FORMULA: C25H40O5
MOLECULAR WEIGHT: 420.5821
SMILES: CC(=C)C1CC(CCC1(C)C=C)/C(=C\C=C\C(C)(C)O[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O)/C
Structure:
CAS RN: 133364-63-3
CAS Name: (Z)-2-butenedioic acid; 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
OPENEYE Name: 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
MOLECULAR FORMULA: C25H29FN4O7
MOLECULAR WEIGHT: 516.518763
SMILES: C1CCN2C(=NC(=O)N(C2=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 133360-41-5
CAS Name: (4Z)-3-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-4-(2-oxopropylidene)-3,3a-dihydrofuro[3,4-c]oxepin-8-one
OPENEYE Name: (4Z)-4-acetonylidene-3-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-1-hydroxy-3,3a-dihydrofuro[3,4-c]oxepin-8-one
IUPAC Name: (4Z)-3-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1-hydroxy-4-(2-oxopropylidene)-3,3a-dihydrofuro[3,4-c]oxepin-8-one
SYSTEMATIC NAME: (4Z)-3-[3,4-bis(oxidanyl)phenyl]-6-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1-oxidanyl-4-(2-oxidanylidenepropylidene)-3,3a-dihydrofuro[3,4-c]oxepin-8-one
MOLECULAR FORMULA: C25H20O9
MOLECULAR WEIGHT: 464.4209
SMILES: CC(=O)/C=C\1/C2C(OC(=C2C(=O)C=C(O1)/C=C/C3=CC(=C(C=C3)O)O)O)C4=CC(=C(C=C4)O)O
Structure:
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