| E2H | Name: | 6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine | Formula: | C9 H10 Cl N3 O2 S2 | SMILES: | CC1(CC1)NC2=N[S](=O)(=O)c3sc(Cl)cc3N2 | InChi: | InChI=1S/C9H10ClN3O2S2/c1-9(2-3-9)12-8-11-5-4-6(10)16-7(5)17(14,15)13-8/h4H,2-3H2,1H3,(H2,11,12,13) | Definition date: | 2022-04-17 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 6-chloranyl-~{N}-(1-methylcyclopropyl)-1,1-bis(oxidanylidene)-4~{H}-thieno[3,2-e][1,2,4]thiadiazin-3-amine |
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| 05G | Name: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid | Formula: | C18 H16 N2 O8 S2 | SMILES: | Cc1cc(/N=N/c2c3ccc(cc3ccc2O)S(=O)(=O)O)c(cc1S(O)(=O)=O)OC | InChi: | InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-19+ | Definition date: | 2021-06-01 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid |
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| LBX | Name: | (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline | Formula: | C8 H11 N O5 | SMILES: | O=C(CCO)C(N=CCC=O)C(=O)O | InChi: | InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h3-4,7,11H,1-2,5H2,(H,13,14)/b9-3+/t7-/m0/s1 | Definition date: | 2022-03-01 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline |
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| PV9 | Name: | Pitavastatin | Formula: | C25 H24 F N O4 | SMILES: | O=C(O)CC(O)CC(O)/C=C/c1c(c2ccccc2nc1C1CC1)c1ccc(F)cc1 | InChi: | InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1 | Synonyms: | (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid | Definition date: | 2022-04-27 | Last modified: | 2022-05-13 | Release date: | 2022-05-18 | Identifier: | (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid |
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| N90 | Name: | 1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine | Formula: | C26 H28 N2 | SMILES: | c1ccccc1C(c1ccccc1)N1CCN(CC1)C/C=C/c1ccccc1 | InChi: | InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+ | Synonyms: | Cinnarizine | Definition date: | 2022-03-28 | Last modified: | 2022-05-06 | Release date: | 2022-05-11 | Identifier: | 1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine |
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| WTS | Name: | Phorbol 12,13-dibutyrate | Formula: | C28 H40 O8 | SMILES: | CC4=CC1C(CC(CO)=CC2C1(O)C(C(C3(C2C3(C)C)OC(=O)CCC)OC(CCC)=O)C)(C4=O)O | InChi: | InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1 | Synonyms: | (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate | Definition date: | 2020-11-11 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate |
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| WUD | Name: | ingenol-3-angelate | Formula: | C25 H34 O6 | SMILES: | C[C@H]=C(C(=O)OC3C4(C(O)C(CO)=CC1C(C4(C(CC2C1C2(C)C)C)C=C3C)=O)O)C | InChi: | InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1 | Synonyms: | ingenol mebutate | Definition date: | 2020-11-15 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl (2Z)-2-methylbut-2-enoate |
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| XYV | Name: | prostratin | Formula: | C22 H30 O6 | SMILES: | C12(C4C(CC(CO)=CC1C3C(CC2C)(C3(C)C)OC(=O)C)(C(C(=C4)C)=O)O)O | InChi: | InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16-,17-,20-,21+,22-/m1/s1 | Synonyms: | 12-deoxyphorbol-13-acetate | Definition date: | 2021-01-20 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate |
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| XZJ | Name: | {(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate | Formula: | C22 H38 O5 | SMILES: | CC(C)CC(CC(C)C)C[C@H]=C1C(=O)OC(C1)(CO)COC(C(C)(C)C)=O | InChi: | InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+/t22-/m1/s1 | Synonyms: | AJH-836 | Definition date: | 2021-01-22 | Last modified: | 2022-04-29 | Release date: | 2022-05-04 | Identifier: | {(2R,4E)-2-(hydroxymethyl)-4-[5-methyl-3-(2-methylpropyl)hexylidene]-5-oxooxolan-2-yl}methyl 2,2-dimethylpropanoate |
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| 7Q2 | Name: | (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione | Formula: | C21 H32 N2 O3 | SMILES: | C[C]12CCC(C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)=NOCCN | InChi: | InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1 | Synonyms: | Istaroxime | Definition date: | 2022-02-24 | Last modified: | 2022-04-22 | Release date: | 2022-04-27 | Identifier: | (3~{E},5~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione |
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| E9B | Name: | S-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate | Formula: | C15 H9 N3 O4 S2 | SMILES: | [O-][N+](=O)c1sc(cc1)C(=O)Sc2oc(C=Cc3ccccc3)nn2 | InChi: | InChI=1S/C15H9N3O4S2/c19-14(11-7-9-13(23-11)18(20)21)24-15-17-16-12(22-15)8-6-10-4-2-1-3-5-10/h1-9H/b8-6+ | Definition date: | 2022-04-19 | Last modified: | 2022-04-22 | Release date: | 2022-04-27 | Identifier: | ~{S}-[5-[(~{E})-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate |
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| 8RI | Name: | (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide | Formula: | C24 H26 N2 O2 | SMILES: | Oc1ccc(CC(CNC(=O)/C=C/c2cccc3ccccc32)N(C)C)cc1 | InChi: | InChI=1S/C24H26N2O2/c1-26(2)21(16-18-10-13-22(27)14-11-18)17-25-24(28)15-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-15,21,27H,16-17H2,1-2H3,(H,25,28)/b15-12+/t21-/m0/s1 | Definition date: | 2021-09-29 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide |
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| KKF | Name: | 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one | Formula: | C23 H21 Cl3 N2 O3 | SMILES: | Clc1ccc(cc1)/C=C/C(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2 | InChi: | InChI=1S/C23H21Cl3N2O3/c24-18-5-1-16(2-6-18)4-8-21(29)27-11-9-23(10-12-27)15-28(22(30)31-23)14-17-3-7-19(25)20(26)13-17/h1-8,13H,9-12,14-15H2/b8-4+ | Definition date: | 2022-02-04 | Last modified: | 2022-04-08 | Release date: | 2022-04-13 | Identifier: | 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one |
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| 7OC | Name: | [3-[(~{E})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{E})-octadec-10-enoate | Formula: | C39 H72 O5 | SMILES: | CCCCCCCC=CCCCCCCCCC(=O)OC[CH](O)COC(=O)CCCCCCCCC=CCCCCCCC | InChi: | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15+,18-16+ | Definition date: | 2022-02-22 | Last modified: | 2022-04-08 | Release date: | 2022-04-13 | Identifier: | [3-[(~{E})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{E})-octadec-10-enoate |
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| 59S | Name: | (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide | Formula: | C29 H42 N4 O6 | SMILES: | COc1ccc(C=CC(=O)N[CH](C(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O)cc1 | InChi: | InChI=1S/C29H42N4O6/c1-18(2)15-24(28(37)31-22(17-34)16-21-7-6-14-30-27(21)36)32-29(38)26(19(3)4)33-25(35)13-10-20-8-11-23(39-5)12-9-20/h8-13,17-19,21-22,24,26H,6-7,14-16H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)(H,33,35)/b13-10+/t21-,22-,24-,26-/m0/s1 | Definition date: | 2022-02-02 | Last modified: | 2022-04-08 | Release date: | 2022-04-13 | Identifier: | (2~{S})-2-[[(2~{S})-2-[[(~{E})-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide |
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| 5ZO | Name: | (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid | Formula: | C18 H15 N O3 S | SMILES: | COc1ccc(cc1)C=C(CC(O)=O)c2sc3ccccc3n2 | InChi: | InChI=1S/C18H15NO3S/c1-22-14-8-6-12(7-9-14)10-13(11-17(20)21)18-19-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/b13-10+ | Definition date: | 2022-02-07 | Last modified: | 2022-04-08 | Release date: | 2022-04-13 | Identifier: | (~{E})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid |
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| 5IW | Name: | (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide | Formula: | C32 H40 N4 O5 | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)C=Cc2ccccc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O | InChi: | InChI=1S/C32H40N4O5/c1-22(2)18-27(31(40)34-26(21-37)20-25-14-9-17-33-30(25)39)36-32(41)28(19-24-12-7-4-8-13-24)35-29(38)16-15-23-10-5-3-6-11-23/h3-8,10-13,15-16,21-22,25-28H,9,14,17-20H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)(H,36,41)/t25-,26-,27-,28-/m0/s1 | Definition date: | 2022-02-02 | Last modified: | 2022-04-08 | Release date: | 2022-04-13 | Identifier: | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2~{S})-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide |
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| 5IZ | Name: | (2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide | Formula: | C23 H31 N3 O4 | SMILES: | CC[CH](C)[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | InChi: | InChI=1S/C23H31N3O4/c1-3-16(2)21(26-20(28)12-11-17-8-5-4-6-9-17)23(30)25-19(15-27)14-18-10-7-13-24-22(18)29/h4-6,8-9,11-12,15-16,18-19,21H,3,7,10,13-14H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)/b12-11+/t16-,18-,19-,21-/m0/s1 | Definition date: | 2022-02-02 | Last modified: | 2022-04-08 | Release date: | 2022-04-13 | Identifier: | (2~{S},3~{S})-3-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide |
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| VKK | Name: | p-coumaroyl glucose | Formula: | C15 H18 O8 | SMILES: | OC[CH]1O[CH](OC(=O)C=Cc2ccc(O)cc2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1 | Synonyms: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (~{E})-3-(4-hydroxyphenyl)prop-2-enoate | Definition date: | 2021-05-25 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (~{E})-3-(4-hydroxyphenyl)prop-2-enoate |
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| LS6 | Name: | (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide | Formula: | C16 H22 N2 O2 | SMILES: | ONC(=O)/C=C/C1CCN(CCc2ccccc2)CC1 | InChi: | InChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19) | Definition date: | 2022-03-04 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide |
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| LTO | Name: | (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide | Formula: | C18 H23 N3 O2 | SMILES: | ONC(=O)/C=C/C1CCN(CCc2c[NH]c3ccccc23)CC1 | InChi: | InChI=1S/C18H23N3O2/c22-18(20-23)6-5-14-7-10-21(11-8-14)12-9-15-13-19-17-4-2-1-3-16(15)17/h1-6,13-14,19,23H,7-12H2,(H,20,22)/b6-5+ | Definition date: | 2022-03-04 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide |
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| 1L3 | Name: | Menaquinone-4 | Formula: | C31 H40 O2 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O | InChi: | InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+ | Synonyms: | vitamin K2 | Definition date: | 2021-07-02 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione |
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| I0O | Name: | 4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose | Formula: | C50 H84 N O7 P | SMILES: | OP(=O)(OC1OCC(N)C(O)C1O)OCC=C(/C)CCC=C(/C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C | InChi: | InChI=1S/C50H84NO7P/c1-38(2)19-11-20-39(3)21-12-22-40(4)23-13-24-41(5)25-14-26-42(6)27-15-28-43(7)29-16-30-44(8)31-17-32-45(9)33-18-34-46(10)35-36-57-59(54,55)58-50-49(53)48(52)47(51)37-56-50/h19,21,23,25,27,29,31,33,35,47-50,52-53H,11-18,20,22,24,26,28,30,32,34,36-37,51H2,1-10H3,(H,54,55)/b39-21+,40-23+,41-25+,42-27-,43-29-,44-31-,45-33+,46-35+/t47-,48-,49+,50-/m0/s1 | Definition date: | 2022-01-04 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | 4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose |
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| J3U | Name: | (6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid | Formula: | C16 H20 O4 | SMILES: | O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C | InChi: | InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15+/m1/s1 | Definition date: | 2021-04-01 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | (6~{S},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid |
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| JAX | Name: | (E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid | Formula: | C12 H11 N O3 | SMILES: | CC(=C(O)C(O)=O)c1c[nH]c2ccccc12 | InChi: | InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-6,13-14H,1H3,(H,15,16)/b11-7+ | Definition date: | 2021-05-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (~{E})-3-(1~{H}-indol-3-yl)-2-oxidanyl-but-2-enoic acid |
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