 | | 18C | | Name: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE | | Formula: | C36 H71 N O3 | | SMILES: | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1 | | Synonyms: | C18-CERAMIDE | | Definition date: | 2007-07-16 | | Last modified: | 2020-05-26 | | Identifier: | N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octadecanamide |
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 | | 55B | | Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol | | Formula: | C11 H14 O4 | | SMILES: | COc1cc(cc(c1O)OC)C=CCO | | InChi: | InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+ | | Synonyms: | Sinapyl alcohol | | Definition date: | 2015-07-27 | | Last modified: | 2020-05-26 | | Release date: | 2015-09-16 | | Identifier: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol |
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 | | 630 | | Name: | 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one | | Formula: | C19 H24 Cl N7 O3 | | SMILES: | N(c1cn(nc1)C)c3nc(OCC2C(CN(C(CC)=O)C2)OC)c4c(n3)ncc4Cl | | InChi: | InChI=1S/C19H24ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h5-6,8,11,14H,4,7,9-10H2,1-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1 | | Synonyms: | Bound form of PF-06459988 | | Definition date: | 2016-01-18 | | Last modified: | 2020-05-26 | | Release date: | 2016-01-27 | | Identifier: | 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one |
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 | | 6CM | | Name: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXANAMIDE | | Formula: | C24 H47 N O3 | | SMILES: | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCC | | InChi: | InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m0/s1 | | Synonyms: | C6-CERAMIDE | | Definition date: | 2005-11-28 | | Last modified: | 2020-05-26 | | Identifier: | N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]hexanamide |
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 | | BUN | | Name: | (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one | | Formula: | C15 H12 O5 | | SMILES: | O=C(c1ccc(O)cc1O)C=Cc2cc(O)c(O)cc2 | | InChi: | InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+ | | Synonyms: | 2',3,4,4'-Tetrahydroxychalcone | | Definition date: | 2014-10-20 | | Last modified: | 2020-05-26 | | Release date: | 2015-10-21 | | Identifier: | (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one |
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 | | 8CB | | Name: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol | | Formula: | C17 H22 O2 | | SMILES: | Oc2c(C1C(CCC(=C1)C)/C(C)=C)c(O)cc(c2)C | | InChi: | InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3/t13-,14+/m0/s1 | | Synonyms: | cannabidiorcin | | Definition date: | 2018-07-26 | | Last modified: | 2020-05-26 | | Release date: | 2019-02-13 | | Identifier: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol |
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 | | NQP | | Name: | 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | | Formula: | C31 H42 N6 O4 | | SMILES: | [C@H](=C)CCN5c3ccc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CCOCC4)C(C5=O)C | | InChi: | InChI=1S/C31H42N6O4/c1-5-6-15-36-26-9-10-28(34-29(26)37(21(2)31(36)39)24-13-18-41-19-14-24)33-25-8-7-22(20-27(25)40-4)30(38)32-23-11-16-35(3)17-12-23/h5,7-10,20-21,23-24H,1,6,11-19H2,2-4H3,(H,32,38)(H,33,34)/t21-/m1/s1 | | Definition date: | 2019-05-24 | | Last modified: | 2020-05-22 | | Release date: | 2020-05-27 | | Identifier: | 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
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 | | AF7 | | Name: | (3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid | | Formula: | C32 H48 O5 | | SMILES: | C45C(C3C(C=C2C1C(C)C(CCC1(C)CCC2(C)C3(C)CC4)C)=O)(C)CCC(C5(C)C(O)=O)OC(=O)C | | InChi: | InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1 | | Definition date: | 2017-07-14 | | Last modified: | 2020-05-08 | | Release date: | 2020-05-13 | | Identifier: | (3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid |
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 | | T9M | | Name: | N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide | | Formula: | C9 H16 N2 O3 | | SMILES: | N(C(C)=O)C(C(=O)NCC=C)C(C)O | | InChi: | InChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8+/m0/s1 | | Definition date: | 2020-03-18 | | Last modified: | 2020-04-10 | | Release date: | 2020-04-15 | | Identifier: | N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide |
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 | | T9P | | Name: | N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide | | Formula: | C9 H15 N3 O3 | | SMILES: | N(C(CC(N)=O)C(NCC=C)=O)C(C)=O | | InChi: | InChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1 | | Definition date: | 2020-03-18 | | Last modified: | 2020-04-10 | | Release date: | 2020-04-15 | | Identifier: | N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide |
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 | | IEF | | Name: | propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate | | Formula: | C16 H32 F O2 P | | SMILES: | FP(=O)(OC(C)C)CCCCCCCCCCCC=C | | InChi: | InChI=1S/C16H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(17,18)19-16(2)3/h4,16H,1,5-15H2,2-3H3/t20-/m1/s1 | | Definition date: | 2014-12-11 | | Last modified: | 2020-04-08 | | Release date: | 2015-03-11 | | Identifier: | propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate |
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 | | M8G | | Name: | N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide | | Formula: | C22 H18 N2 O4 | | SMILES: | c1cc(ccc1)Oc2ccccc2C(Nc3ccccc3C=CC(=O)NO)=O | | InChi: | InChI=1S/C22H18N2O4/c25-21(24-27)15-14-16-8-4-6-12-19(16)23-22(26)18-11-5-7-13-20(18)28-17-9-2-1-3-10-17/h1-15,27H,(H,23,26)(H,24,25)/b15-14+ | | Definition date: | 2019-03-27 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide |
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 | | O9P | | Name: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide | | Formula: | C17 H17 F N2 O4 S | | SMILES: | [C@H](=C)COc2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F | | InChi: | InChI=1S/C17H17FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h3-8,10-11,20H,1,9H2,2H3,(H,19,21) | | Definition date: | 2019-06-19 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide |
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 | | BKR | | Name: | Deacetyltaxol | | Formula: | C45 H49 N O13 | | SMILES: | O=C(NC(C(O)C(OC3C(C)=C4C(C(C2(C(O)CC1OCC1(OC(=O)C)C2C(C(C3)(C4(C)C)O)OC(c5ccccc5)=O)C)=O)O)=O)c6ccccc6)c7ccccc7 | | InChi: | InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1 | | Definition date: | 2019-02-14 | | Last modified: | 2020-02-21 | | Release date: | 2020-02-26 | | Identifier: | (2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(benzenecarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
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 | | MKW | | Name: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one | | Formula: | C25 H24 Cl N5 O2 | | SMILES: | CCC(=O)N1CCN2[CH](COc3cnc4cc(c(Cl)cc4c23)c5c(C)ccc6n[nH]cc56)C1 | | InChi: | InChI=1S/C25H24ClN5O2/c1-3-23(32)30-6-7-31-15(12-30)13-33-22-11-27-21-9-16(19(26)8-17(21)25(22)31)24-14(2)4-5-20-18(24)10-28-29-20/h4-5,8-11,15H,3,6-7,12-13H2,1-2H3,(H,28,29)/t15-/m1/s1 | | Definition date: | 2019-10-17 | | Last modified: | 2020-02-14 | | Release date: | 2020-02-19 |
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 | | OYG | | Name: | 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione | | Formula: | C9 H10 N2 O3 | | SMILES: | N1C(NC(C([C@H]=[C@H]C(C)=O)=C1C)=O)=O | | InChi: | InChI=1S/C9H10N2O3/c1-5(12)3-4-7-6(2)10-9(14)11-8(7)13/h3-4H,1-2H3,(H2,10,11,13,14)/b4-3+ | | Definition date: | 2019-07-18 | | Last modified: | 2020-02-14 | | Release date: | 2020-02-19 | | Identifier: | 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione |
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 | | OYV | | Name: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol | | Formula: | C14 H20 N2 O7 | | SMILES: | C(=O)([C@H]=[C@H]C=1C(=O)NC(NC=1CCC(C(C(O)CO)O)O)=O)C | | InChi: | InChI=1S/C14H20N2O7/c1-7(18)2-3-8-9(15-14(23)16-13(8)22)4-5-10(19)12(21)11(20)6-17/h2-3,10-12,17,19-21H,4-6H2,1H3,(H2,15,16,22,23)/b3-2+/t10-,11+,12-/m0/s1 | | Definition date: | 2019-07-19 | | Last modified: | 2020-02-14 | | Release date: | 2020-02-19 | | Identifier: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol |
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 | | HY5 | | Name: | FC-NCPC | | Formula: | C36 H57 N O10 | | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)CNC(=O)C5CC5 | | InChi: | InChI=1S/C36H57NO10/c1-8-35(4,5)45-17-25-29(40)30(41)31(42)34(46-25)47-32-27-23(18(2)15-37-33(43)20-9-10-20)13-26(38)36(27,6)14-24-21(16-44-7)11-12-22(24)19(3)28(32)39/h8,14,18-22,25-26,28-32,34,38-42H,1,9-13,15-17H2,2-7H3,(H,37,43)/b24-14-/t18-,19-,21-,22+,25-,26+,28-,29-,30+,31-,32-,34-,36+/m1/s1 | | Definition date: | 2019-01-02 | | Last modified: | 2020-01-24 | | Release date: | 2020-01-29 | | Identifier: | ~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]cyclopropanecarboxamide |
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 | | GK7 | | Name: | methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate | | Formula: | C40 H55 N7 O10 S | | SMILES: | c6(OC1CC2C(=O)NC3(C(C=CCCCCCC(C(N2C1)=O)NC(=O)C(NC(OC)=O)C(C)(C)C)C3)C(NS(C4(CC4)C)(=O)=O)=O)nc5cc(OC)ccc5nc6C | | InChi: | InChI=1S/C40H55N7O10S/c1-23-34(43-29-19-25(55-6)15-16-27(29)41-23)57-26-20-30-32(48)45-40(36(51)46-58(53,54)39(5)17-18-39)21-24(40)13-11-9-8-10-12-14-28(35(50)47(30)22-26)42-33(49)31(38(2,3)4)44-37(52)56-7/h11,13,15-16,19,24,26,28,30-31H,8-10,12,14,17-18,20-22H2,1-7H3,(H,42,49)(H,44,52)(H,45,48)(H,46,51)/b13-11-/t24-,26-,28+,30+,31-,40-/m1/s1 | | Definition date: | 2018-05-24 | | Last modified: | 2019-12-11 | | Release date: | 2019-07-31 | | Identifier: | methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate |
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 | | JV1 | | Name: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one | | Formula: | C16 H11 N O5 | | SMILES: | [O-][N+](=O)c1cccc(c1)C(=O)C=Cc2ccc3OCOc3c2 | | InChi: | InChI=1S/C16H11NO5/c18-14(12-2-1-3-13(9-12)17(19)20)6-4-11-5-7-15-16(8-11)22-10-21-15/h1-9H,10H2/b6-4+ | | Definition date: | 2019-09-09 | | Last modified: | 2019-11-29 | | Release date: | 2019-12-04 | | Identifier: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one |
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 | | L6H | | Name: | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate | | Formula: | C28 H38 N4 O7 | | SMILES: | O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3 | | InChi: | InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1 | | Definition date: | 2019-07-23 | | Last modified: | 2019-11-22 | | Release date: | 2019-11-27 | | Identifier: | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
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 | | P6J | | Name: | N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide | | Formula: | C22 H21 F2 N5 O3 S | | SMILES: | COCC12C(C1)C(N=C(S2)N)(C)c3c(F)c(F)cc(c3)NC(=O)c4cnc(cn4)OCC#C | | InChi: | InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1 | | Definition date: | 2019-08-01 | | Last modified: | 2019-10-18 | | Release date: | 2019-10-23 | | Identifier: | N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide |
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 | | ZWP | | Name: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate | | Formula: | C21 H21 N3 O | | SMILES: | c1cccc4c1c(Cc2c[n+]3c(c(n2)[O-])CC=C3)c(C(C)(C)C=C)n4 | | InChi: | InChI=1S/C21H21N3O/c1-4-21(2,3)19-16(15-8-5-6-9-17(15)23-19)12-14-13-24-11-7-10-18(24)20(25)22-14/h4-9,11,13,23H,1,10,12H2,2-3H3 | | Definition date: | 2019-01-12 | | Last modified: | 2019-10-04 | | Release date: | 2019-10-09 | | Identifier: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate |
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 | | GJK | | Name: | (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one | | Formula: | C11 H12 O3 | | SMILES: | COc1cc(C=CC(C)=O)ccc1O | | InChi: | InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+ | | Definition date: | 2018-09-18 | | Last modified: | 2019-09-27 | | Release date: | 2019-10-02 | | Identifier: | (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one |
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 | | MWS | | Name: | 4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one | | Formula: | C21 H24 O6 | | SMILES: | [C@H](COc2c1c(OC(C=C1)=O)cc3c2cco3)=C(C)CCC(C(C)(C)O)O | | InChi: | InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8-/t18-/m0/s1 | | Definition date: | 2019-04-23 | | Last modified: | 2019-09-06 | | Release date: | 2019-09-11 | | Identifier: | 4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one |
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