 | | UWL | | Name: | 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone | | Formula: | C26 H28 Cl F N4 O2 | | SMILES: | CCc1nc(C)ccc1OCC(=O)N2CCc3nc4CCCCn4c3[CH]2c5ccc(Cl)cc5F | | InChi: | InChI=1S/C26H28ClFN4O2/c1-3-20-22(10-7-16(2)29-20)34-15-24(33)32-13-11-21-26(31-12-5-4-6-23(31)30-21)25(32)18-9-8-17(27)14-19(18)28/h7-10,14,25H,3-6,11-13,15H2,1-2H3/t25-/m0/s1 | | Definition date: | 2023-02-14 | | Last modified: | 2024-01-05 | | Release date: | 2024-01-10 | | Identifier: | 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone |
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 | | YV7 | | Name: | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide | | Formula: | C29 H37 F N4 O5 | | SMILES: | Fc1ccc(cc1)CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | | InChi: | InChI=1S/C29H37FN4O5/c1-2-39-26(35)13-12-23(18-21-14-15-32-27(21)36)33-29(38)25(17-20-8-10-22(30)11-9-20)34-28(37)24(31)16-19-6-4-3-5-7-19/h3-11,21,23-25H,2,12-18,31H2,1H3,(H,32,36)(H,33,38)(H,34,37)/t21-,23+,24+,25-/m0/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide |
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 | | 7TH | | Name: | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid | | Formula: | C16 H16 N2 O4 | | SMILES: | [O-][N+](=O)c1ccc(NCCCc2ccccc2)c(c1)C(=O)O | | InChi: | InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20) | | Definition date: | 2021-08-20 | | Last modified: | 2022-08-19 | | Release date: | 2022-08-24 | | Identifier: | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid |
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 | | 9W3 | | Name: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile | | Formula: | C28 H30 N8 O2 | | SMILES: | N#Cc1ccc(cc1)Nc1nc(nc(Nc2c(C)cc(C=CC#N)cc2C)n1)OCCCN1CCOCC1 | | InChi: | InChI=1S/C28H30N8O2/c1-20-17-23(5-3-10-29)18-21(2)25(20)32-27-33-26(31-24-8-6-22(19-30)7-9-24)34-28(35-27)38-14-4-11-36-12-15-37-16-13-36/h3,5-9,17-18H,4,11-16H2,1-2H3,(H2,31,32,33,34,35)/b5-3+ | | Definition date: | 2021-10-29 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile |
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 | | V7N | | Name: | (2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid | | Formula: | C41 H54 O4 | | SMILES: | COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C=CC=C(C)C(O)=O | | InChi: | InChI=1S/C41H54O4/c1-33(20-12-21-35(3)22-13-23-36(4)24-14-28-38(6)40(43)44)18-10-11-19-34(2)25-15-29-39(32-42)30-16-26-37(5)27-17-31-41(7,8)45-9/h10-12,14-21,23-30,32H,13,22,31H2,1-9H3,(H,43,44)/b11-10+,20-12+,24-14+,25-15+,27-17+,30-16+,33-18+,34-19+,35-21+,36-23+,37-26+,38-28+,39-29- | | Definition date: | 2021-04-23 | | Last modified: | 2022-02-25 | | Release date: | 2022-03-02 | | Identifier: | (2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid |
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 | | VBV | | Name: | [1,1'-biphenyl]-4,4'-disulfonic acid | | Formula: | C12 H10 O6 S2 | | SMILES: | O=S(c2ccc(c1ccc(cc1)S(O)(=O)=O)cc2)(=O)O | | InChi: | InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18) | | Definition date: | 2020-07-24 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | [1,1'-biphenyl]-4,4'-disulfonic acid |
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 | | ZAP | | Name: | [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | | Formula: | C16 H18 N3 O5 P | | SMILES: | O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2 | | InChi: | InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1 | | Synonyms: | Z-AMIDINOPHENYLMETHANE-PHOSPHONATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | [(R)-{[(benzyloxy)carbonyl]amino}(4-carbamimidoylphenyl)methyl]phosphonic acid |
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 | | 110 | | Name: | 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER | | Formula: | C28 H38 N4 O7 S | | SMILES: | O=C(OCCCC)C(O)C(NC(=O)c1ccc2n1C(=O)CN(C2)S(=O)(=O)Cc3ccccc3)C4CCC(N)CC4 | | InChi: | InChI=1S/C28H38N4O7S/c1-2-3-15-39-28(36)26(34)25(20-9-11-21(29)12-10-20)30-27(35)23-14-13-22-16-31(17-24(33)32(22)23)40(37,38)18-19-7-5-4-6-8-19/h4-8,13-14,20-21,25-26,34H,2-3,9-12,15-18,29H2,1H3,(H,30,35)/t20-,21-,25-,26-/m0/s1 | | Synonyms: | BCH-10556 | | Definition date: | 2000-11-07 | | Last modified: | 2021-03-01 | | Identifier: | butyl (2S,3S)-3-(trans-4-aminocyclohexyl)-3-({[2-(benzylsulfonyl)-4-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]carbonyl}amino)-2-hydroxypropanoate |
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 | | MXB | | Name: | (R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide | | Formula: | C18 H21 N7 O2 | | SMILES: | Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2 | | InChi: | InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m1/s1 | | Synonyms: | (2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide | | Definition date: | 2019-10-28 | | Last modified: | 2021-02-12 | | Release date: | 2020-07-15 | | Identifier: | (2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide |
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 | | OVW | | Name: | [(2~{R},3~{S},4~{S},5~{R})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate | | Formula: | C25 H47 N5 O7 S | | SMILES: | CCCCCCCCc1cn(CCC[CH]2CO[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC(C)C)[CH](O)[CH]2O)nn1 | | InChi: | InChI=1S/C25H47N5O7S/c1-4-5-6-7-8-9-12-20-15-30(29-27-20)13-10-11-19-16-36-22(24(32)23(19)31)17-37-38(34,35)28-25(33)21(26)14-18(2)3/h15,18-19,21-24,31-32H,4-14,16-17,26H2,1-3H3,(H,28,33)/t19-,21+,22-,23+,24-/m1/s1 | | Definition date: | 2020-04-06 | | Last modified: | 2020-11-27 | | Release date: | 2020-12-02 | | Identifier: | [(2~{R},3~{S},4~{S},5~{R})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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 | | GYG | | Name: | (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol | | Formula: | C11 H22 N4 O8 S | | SMILES: | C1(CC(C(C(C(C(O)CO)O)O1)NC(C)=O)NC(N)=N)S(=O)(=O)O | | InChi: | InChI=1S/C11H22N4O8S/c1-4(17)14-8-5(15-11(12)13)2-7(24(20,21)22)23-10(8)9(19)6(18)3-16/h5-10,16,18-19H,2-3H2,1H3,(H,14,17)(H4,12,13,15)(H,20,21,22)/t5-,6+,7+,8+,9+,10+/m0/s1 | | Synonyms: | (1R)-4-(acetylamino)-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol | | Definition date: | 2017-11-30 | | Last modified: | 2020-07-17 | | Release date: | 2018-03-07 | | Identifier: | (1R)-4-(acetylamino)-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol |
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 | | MXK | | Name: | (2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid
e | | Formula: | C18 H21 N7 O2 | | SMILES: | Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2 | | InChi: | InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m0/s1 | | Synonyms: | 2-(N-hydroxyimino)-N-[(1S)-3-{4-[(2-methyl-1H-imidazol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}-1- phenylpropyl]acetamide | | Definition date: | 2019-10-29 | | Last modified: | 2020-07-10 | | Release date: | 2020-07-15 | | Identifier: | (2~{E})-2-hydroxyimino-~{N}-[(1~{S})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide |
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 | | RNB | | Name: | 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde | | Formula: | C18 H23 Cl O3 | | SMILES: | Clc1c(c(c(O)c(c1O)CC=C(/C)CCC=C(/C)C)C=O)C | | InChi: | InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+ | | Synonyms: | Colletochlorin B | | Definition date: | 2013-01-31 | | Last modified: | 2020-06-17 | | Release date: | 2013-03-13 | | Identifier: | 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde |
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 | | RPD | | Name: | (C8-R)-HYDANTOCIDIN 5'-PHOSPHATE | | Formula: | C13 H22 N3 O13 P | | SMILES: | O=C(O)C(N(O)CO)CCCN2C(=O)C1(OC(C(O)C1O)COP(=O)(O)O)NC2=O | | InChi: | InChI=1S/C13H22N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h6-9,17-19,24H,1-5H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7-,8-,9-,13+/m1/s1 | | Synonyms: | [8,9-DIHYDROXY-3-(4-CARBOXY-HYDROXY-HYDROXYMETHYL-AMINO-BUTYL)-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.4]NON-7-YLMETHYL]
PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-{(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxymethyl)-D-norvaline |
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 | | RPL | | Name: | (C8-S)-HYDANTOCIDIN 5'-PHOSPHATE | | Formula: | C13 H22 N3 O13 P | | SMILES: | O=C(O)C(N(O)CO)CCCN2C(=O)C1(OC(C(O)C1O)COP(=O)(O)O)NC2=O | | InChi: | InChI=1S/C13H22N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h6-9,17-19,24H,1-5H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7+,8+,9+,13-/m0/s1 | | Synonyms: | [8,9-DIHYDROXY-3-(4-CARBOXY-HYDROXY-HYDROXYMETHYL-AMINO-BUTYL)-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.4]NON-7-YLMETHYL]
PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-{(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxymethyl)-L-norvaline |
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 | | MAX | | Name: | MATAIRESINOL | | Formula: | C20 H22 O6 | | SMILES: | O=C2OCC(Cc1cc(OC)c(O)cc1)C2Cc3ccc(O)c(OC)c3 | | InChi: | InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1 | | Synonyms: | ARTIGENIN CONGENER | | Definition date: | 2004-12-23 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R)-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one |
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 | | MCZ | | Name: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol | | Formula: | C26 H42 O4 | | SMILES: | OC3C(=C)C(=C/C=C1CCCC2(C)C(C(OCCC(O)(C)C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1 | | Synonyms: | Maxacalcitol | | Definition date: | 2011-06-28 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol |
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 | | MF8 | | Name: | Metformin | | Formula: | C4 H11 N5 | | SMILES: | CN(C)C(=N)NC(N)=N | | InChi: | InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) | | Synonyms: | N,N-Dimethylimidodicarbonimidic diamide | | Definition date: | 2016-05-25 | | Last modified: | 2020-06-17 | | Release date: | 2017-06-07 | | Identifier: | 3-carbamimidoyl-1,1-dimethyl-guanidine |
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 | | BIH | | Name: | NAPHTHALENE-2,6-DISULFONIC ACID | | Formula: | C10 H8 O6 S2 | | SMILES: | O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O | | InChi: | InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16) | | Synonyms: | 2,6-NAPHTHALENEDISULFONIC ACID | | Definition date: | 2004-08-11 | | Last modified: | 2020-06-17 | | Identifier: | naphthalene-2,6-disulfonic acid |
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 | | C76 | | Name: | 2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide | | Formula: | C8 H12 F3 N O6 | | SMILES: | OC[CH]1O[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O | | InChi: | InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4-,5-,6-/m1/s1 | | Synonyms: | N-trifluoroacetyl-D-glucosamine | | Definition date: | 2019-04-12 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-13 | | Identifier: | 2,2,2-tris(fluoranyl)-~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide |
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 | | AHD | | Name: | 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE | | Formula: | C4 H9 N O7 P2 | | SMILES: | [O-]P([O-])(=O)C(O)(CCCN)P(=O)([O-])[O-] | | InChi: | InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4 | | Synonyms: | ALENDRONATE | | Definition date: | 2005-01-11 | | Last modified: | 2020-05-26 | | Identifier: | (4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonate) |
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 | | RJG | | Name: | (3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one | | Formula: | C16 H18 N2 O | | SMILES: | N13C5CC2CNCC12C(CC5c4c(C3)cccc4)=O | | InChi: | InChI=1S/C16H18N2O/c19-15-6-13-12-4-2-1-3-10(12)8-18-14(13)5-11-7-17-9-16(11,15)18/h1-4,11,13-14,17H,5-9H2/t11-,13-,14-,16+/m1/s1 | | Definition date: | 2020-02-12 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | (3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one |
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 | | JY2 | | Name: | 8-methyl-9-pent-4-ynyl-purin-6-amine | | Formula: | C11 H13 N5 | | SMILES: | Cc1nc2c(N)ncnc2n1CCCC#C | | InChi: | InChI=1S/C11H13N5/c1-3-4-5-6-16-8(2)15-9-10(12)13-7-14-11(9)16/h1,7H,4-6H2,2H3,(H2,12,13,14) | | Definition date: | 2019-04-11 | | Last modified: | 2020-02-14 | | Release date: | 2020-02-19 | | Identifier: | 8-methyl-9-pent-4-ynyl-purin-6-amine |
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 | | 9YF | | Name: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate | | Formula: | C44 H85 O13 P | | SMILES: | P(O)(OC1C(C(C(C(O)C1O)O)O)O)(OCC(COC(CCCCCCCC(C)CCCCCCCCC)=O)OC(=O)CCCCCCCCCCCCCCC)=O | | InChi: | InChI=1S/C44H85O13P/c1-4-6-8-10-12-13-14-15-16-17-19-23-28-32-38(46)56-36(34-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51)33-54-37(45)31-27-24-20-22-26-30-35(3)29-25-21-18-11-9-7-5-2/h35-36,39-44,47-51H,4-34H2,1-3H3,(H,52,53)/t35-,36+,39-,40+,41+,42+,43-,44-/m0/s1 | | Definition date: | 2018-08-30 | | Last modified: | 2018-11-09 | | Release date: | 2018-11-14 | | Identifier: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate |
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 | | 8G0 | | Name: | benzene-1,3-dicarboxylic acid | | Formula: | C8 H6 O4 | | SMILES: | OC(=O)c1cccc(c1)C(O)=O | | InChi: | InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) | | Definition date: | 2017-06-30 | | Last modified: | 2018-03-16 | | Release date: | 2018-03-21 | | Identifier: | benzene-1,3-dicarboxylic acid |
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