 | | US6 | | Name: | (7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone | | Formula: | C35 H45 N O10 | | SMILES: | C[CH]1C=CC=C(C)C(=O)NC2=CC(=O)c3c(c(O)c(C)c(O)c3C2=O)C(=O)C(=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH]1O)C | | InChi: | InChI=1S/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,27-,28-,30+,31+/m0/s1 | | Synonyms: | 34a-Deoxy-rifamycin W | | Definition date: | 2023-09-11 | | Last modified: | 2025-03-07 | | Release date: | 2025-03-12 |
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 | | A1H2V | | Name: | [(2~{R})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] octadecanoate | | Formula: | C40 H79 O10 P | | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38-/m1/s1 | | Synonyms: | (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA
N-3,4-DIOL | | Definition date: | 2024-01-22 | | Last modified: | 2025-01-31 | | Release date: | 2025-02-05 | | Identifier: | [(2~{R})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] octadecanoate |
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 | | A1IRY | | Name: | Mycobactin S | | Formula: | C46 H70 Fe N5 O10 | | SMILES: | CCCCCCCCCCCCCCCCCC=CC(=O)[N]1CCCC[CH]2NC(=O)[CH]3COC(=N3)c4ccccc4O[Fe+3](O1)O[N]5CCCC[CH](NC(=O)C[CH](C)OC2=O)C5=O | | InChi: | InChI=1S/C46H71N5O10.Fe/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-42(54)50(58)31-24-23-28-38(48-43(55)39-34-60-44(49-39)36-26-20-21-29-40(36)52)46(57)61-35(2)33-41(53)47-37-27-22-25-32-51(59)45(37)56 | | Synonyms: | [4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 6-[hydroxy-[(E)-octadec-2-enoyl]amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate | | Definition date: | 2024-10-14 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 |
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 | | X3H | | Name: | PIRONETIN | | Formula: | C19 H34 O4 | | SMILES: | CC[CH]1CCC(=O)O[CH]1C[CH](O)[CH](C)[CH](OC)[CH](C)CC=CC | | InChi: | InChI=1S/C19H34O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,13-17,19-20H,7,9-12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1 | | Definition date: | 2015-11-17 | | Last modified: | 2024-09-27 | | Release date: | 2016-05-18 | | Identifier: | (5R,6R)-5-ethyl-6-[(E,2R,3S,4R,5S)-4-methoxy-3,5-dimethyl-2-oxidanyl-non-7-enyl]oxan-2-one |
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 | | IM2 | | Name: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox
ylic acid | | Formula: | C12 H19 N3 O4 S | | SMILES: | O=C(O)C1=C(SCCNC=[N@H])CC(N1)C(C=O)C(O)C | | InChi: | InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-9,15,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-/m1/s1 | | Synonyms: | IMIPENEM, open form | | Definition date: | 1999-07-13 | | Last modified: | 2024-09-27 | | Identifier: | (5R)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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 | | HMY | | Name: | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione | | Formula: | C19 H22 O8 | | SMILES: | O=C3C=CCC(OC(=O)c1c(cc(OC)cc1O)C2OC2CC(O)C3O)C | | InChi: | InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/t9-,14-,15+,17+,18+/m0/s1 | | Synonyms: | Hypothemycin | | Definition date: | 2008-02-19 | | Last modified: | 2024-09-27 | | Identifier: | (1aR,8S,10Z,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione |
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 | | 2YD | | Name: | (5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one | | Formula: | C29 H44 O6 | | SMILES: | O=C1C(=C2OC3(O)C(CC(CC(=CC(C)CCC4OC(C(=C1O)C2C3)C(C)C(O)C4C)C)C)C)C | | InChi: | InChI=1S/C29H44O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,14,16-19,21-22,24,28,30,32-33H,8-9,11-13H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,21+,22+,24-,28+,29+/m0/s1 | | Synonyms: | Kendomycin | | Definition date: | 2014-05-01 | | Last modified: | 2024-09-27 | | Release date: | 2014-07-30 | | Identifier: | (5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one |
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 | | QL9 | | Name: | 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C11 H12 Br N O2 S | | SMILES: | CN(CCS)C(=O)c1ccc(C=O)c(Br)c1 | | InChi: | InChI=1S/C11H12BrNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3 | | Definition date: | 2022-11-08 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-29 | | Identifier: | 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | A5R | | Name: | amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium | | Formula: | C11 H23 N4 O3 | | SMILES: | O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1 | | Definition date: | 2011-01-28 | | Last modified: | 2024-09-27 | | Identifier: | amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium |
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 | | 6VC | | Name: | ~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide | | Formula: | C20 H40 N2 O6 | | SMILES: | CC(C)CCCCC(=O)N[CH](CO)C(=O)N[CH](CC(C)C)[CH](O)[C](C)(O)CO | | InChi: | InChI=1S/C20H40N2O6/c1-13(2)8-6-7-9-17(25)21-16(11-23)19(27)22-15(10-14(3)4)18(26)20(5,28)12-24/h13-16,18,23-24,26,28H,6-12H2,1-5H3,(H,21,25)(H,22,27)/t15-,16-,18+,20-/m0/s1 | | Synonyms: | Dihydroeponemycin bound form | | Definition date: | 2016-07-05 | | Last modified: | 2024-09-27 | | Release date: | 2016-08-17 | | Identifier: | ~{N}-[(2~{S})-1-[[(2~{S},3~{R},4~{S})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide |
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 | | JQI | | Name: | [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid | | Formula: | C31 H55 B N8 O6 | | SMILES: | CC(C)C[CH](NC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc1cccc(CCC(=O)C(C)NC(N)=N)c1)B(O)O | | InChi: | InChI=1S/C31H55BN8O6/c1-20(2)17-27(32(45)46)40-30(44)25(12-5-7-16-34)39-29(43)24(11-4-6-15-33)38-28(42)19-23-10-8-9-22(18-23)13-14-26(41)21(3)37-31(35)36/h8-10,18,20-21,24-25,27,45-46H,4-7,11-17,19,33-34H2,1-3H3,(H,38,42)(H,39,43)(H,40,44)(H4,35,36,37)/t21?,24-,25-,27-/m0/s1 | | Synonyms: | (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA
N-3,4-DIOL | | Definition date: | 2022-05-06 | | Last modified: | 2024-09-27 | | Release date: | 2022-06-22 | | Identifier: | [(1~{R})-1-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid |
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 | | LBF | | Name: | Leptomycin B | | Formula: | C33 H48 O6 | | SMILES: | O=C(O)C=C(/C)CC(C)C(O)C(C(=O)C(/C=C(/C=C/CC(/C=C(C=CC1OC(=O)C=CC1C)CC)C)C)C)C | | InChi: | InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1 | | Definition date: | 2012-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2013-01-04 | | Identifier: | (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid |
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 | | BKM | | Name: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid | | Formula: | C33 H52 O11 | | SMILES: | C=[C@H]C(=[C@H]C(CC(CC(C)CCC(C(C)C(CC(O)C(C)C(C)OC(=O)CC(/C(C(O)=O)=C(/C(=O)O)C)O)=O)O)C)=O)CC | | InChi: | InChI=1S/C33H52O11/c1-9-24(10-2)15-25(34)14-19(4)13-18(3)11-12-26(35)21(6)28(37)16-27(36)20(5)23(8)44-30(39)17-29(38)31(33(42)43)22(7)32(40)41/h9,15,18-21,23,26-27,29,35-36,38H,1,10-14,16-17H2,2-8H3,(H,40,41)(H,42,43)/b24-15-,31-22-/t18-,19+,20+,21-,23+,26-,27+,29+/m0/s1 | | Synonyms: | Tautomycetin diacid form | | Definition date: | 2017-08-10 | | Last modified: | 2024-09-27 | | Release date: | 2017-11-29 | | Identifier: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid |
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 | | BR1 | | Name: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol | | Formula: | C22 H25 Br N2 O2 | | SMILES: | BrCc1ccc(nc1)c2oc(nc2)C(O)CCCCCCc3ccccc3 | | InChi: | InChI=1S/C22H25BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16,20,26H,1-2,4,7-8,11,14H2/t20-/m0/s1 | | Synonyms: | 1-(5-(5-(bromomethyl)pyridin-2-yl)-7-phenylheptan-1-one, bound form | | Definition date: | 2013-02-14 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-01 | | Identifier: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol |
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 | | BWO | | Name: | (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid | | Formula: | C30 H35 F6 N3 O5 | | SMILES: | CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(O)=O | | InChi: | InChI=1S/C30H35F6N3O5/c1-3-37(4-2)14-15-38(27(41)17-25(40)24-6-5-13-39(24)28(42)43)18-20-7-9-21(10-8-20)23-12-11-22(30(34,35)36)16-26(23)44-19-29(31,32)33/h7-12,16-17,24,40H,3-6,13-15,18-19H2,1-2H3,(H,42,43)/b25-17+/t24-/m0/s1 | | Definition date: | 2019-03-20 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-30 | | Identifier: | (2~{S})-2-[(~{E})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid |
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 | | LMB | | Name: | Leptomycin B, bound form | | Formula: | C33 H52 O7 | | SMILES: | O=C(O)CCC(C)C(O)/C=C/C(=CC(C)C/C=C/C(=C/C(C(=O)C(C)C(O)C(C)CC(=CC(=O)O)C)C)C)CC | | InChi: | InChI=1S/C33H52O7/c1-9-28(14-15-29(34)24(5)13-16-30(35)36)19-22(3)12-10-11-21(2)17-25(6)32(39)27(8)33(40)26(7)18-23(4)20-31(37)38/h10-11,14-15,17,19-20,22,24-27,29,33-34,40H,9,12-13,16,18H2,1-8H3,(H,35,36)(H,37,38)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1 | | Definition date: | 2012-10-11 | | Last modified: | 2024-09-27 | | Release date: | 2013-01-04 | | Identifier: | (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20R,21S)-17-ethyl-6,20-dihydroxy-3,5,7,9,11,15,21-heptamethyl-8-oxotetracosa-2,10,12,16,18-pentaenedioic acid |
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 | | AIA | | Name: | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE | | Formula: | C14 H23 N3 O | | SMILES: | O=C(N1C(C#C)CCC1CN)C(N)C2CCCC2 | | InChi: | InChI=1S/C14H23N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-9,15-16H2/t11-,12-,13-/m0/s1 | | Definition date: | 2006-03-28 | | Last modified: | 2024-09-27 | | Identifier: | (1S)-2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine |
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 | | DBH | | Name: | 2,3-DIHYDROXY-BENZOIC ACID | | Formula: | C7 H6 O4 | | SMILES: | O=C(O)c1cccc(O)c1O | | InChi: | InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) | | Definition date: | 2002-03-20 | | Last modified: | 2024-09-27 | | Identifier: | 2,3-dihydroxybenzoic acid |
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 | | AYC | | Name: | ALAREMYCIN 2 | | Formula: | C8 H13 N O4 | | SMILES: | O=C(C(NC(=O)C)C)CCC(=O)O | | InChi: | InChI=1S/C8H13NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,9,10)(H,12,13)/t5-/m1/s1 | | Synonyms: | (5R)-5-ACETAMIDO-4-OXO-HEXANOIC ACID | | Definition date: | 2009-07-27 | | Last modified: | 2024-09-27 | | Identifier: | (5R)-5-(acetylamino)-4-oxohexanoic acid |
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 | | FFQ | | Name: | [(1R)-1-hydroxypropyl]phosphonic acid | | Formula: | C3 H9 O4 P | | SMILES: | O=P(O)(O)C(O)CC | | InChi: | InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1 | | Synonyms: | Fosfomycin, bound form | | Definition date: | 2011-02-18 | | Last modified: | 2024-09-27 | | Identifier: | [(1R)-1-hydroxypropyl]phosphonic acid |
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 | | QB9 | | Name: | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide | | Formula: | C10 H12 N4 O3 S | | SMILES: | NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CC2 | | InChi: | InChI=1S/C10H12N4O3S/c11-9-7(6-12-10(15)14-9)2-1-5-13-18(16,17)8-3-4-8/h6,8,13H,3-5H2,(H3,11,12,14,15) | | Synonyms: | N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopropanesulfonamide | | Definition date: | 2023-08-29 | | Last modified: | 2024-09-06 | | Release date: | 2024-09-11 | | Identifier: | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide |
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 | | A1LWD | | Name: | O-desmethyl mycophenolic acid | | Formula: | C16 H18 O6 | | SMILES: | CC(CCC(O)=O)=CCc1c(O)c(C)c2COC(=O)c2c1O | | InChi: | InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18) | | Synonyms: | (~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid | | Definition date: | 2024-01-15 | | Last modified: | 2024-08-23 | | Release date: | 2024-08-28 | | Identifier: | (~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid |
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 | | NOJ | | Name: | 1-DEOXYNOJIRIMYCIN | | Formula: | C6 H13 N O4 | | SMILES: | OC1C(NCC(O)C1O)CO | | InChi: | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 | | Synonyms: | MORANOLINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-08-16 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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 | | XN0 | | Name: | 3',4'-demethoxy-nogalose-nogalamycinone | | Formula: | C29 H32 O12 | | SMILES: | CO[CH]1[CH](O[CH](C)[CH](O)[C]1(C)O)O[CH]2C[C](C)(O)[CH](C(=O)OC)c3cc4C(=O)c5cccc(O)c5C(=O)c4c(O)c23 | | InChi: | InChI=1S/C29H32O12/c1-11-24(34)29(3,37)25(38-4)27(40-11)41-16-10-28(2,36)20(26(35)39-5)13-9-14-19(23(33)18(13)16)22(32)17-12(21(14)31)7-6-8-15(17)30/h6-9,11,16,20,24-25,27,30,33-34,36-37H,10H2,1-5H3/t11-,16-,20-,24-,25-,27-,28-,29+/m0/s1 | | Synonyms: | methyl (1R,2S,4S)-4-[(2R,3R,4R,5S,6S)-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate | | Definition date: | 2023-11-06 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | methyl (1~{R},2~{S},4~{S})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate |
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 | | XN8 | | Name: | 3',4'-demethoxy-nogalose-1-hydroxy-nogalamycinone | | Formula: | C29 H32 O13 | | SMILES: | CO[CH]1[CH](O[CH](C)[CH](O)[C]1(C)O)O[CH]2C[C](C)(O)[CH](C(=O)OC)c3cc4C(=O)c5c(O)ccc(O)c5C(=O)c4c(O)c23 | | InChi: | InChI=1S/C29H32O13/c1-10-24(35)29(3,38)25(39-4)27(41-10)42-15-9-28(2,37)20(26(36)40-5)11-8-12-17(22(33)16(11)15)23(34)19-14(31)7-6-13(30)18(19)21(12)32/h6-8,10,15,20,24-25,27,30-31,33,35,37-38H,9H2,1-5H3/t10-,15-,20-,24-,25-,27-,28-,29+/m0/s1 | | Synonyms: | methyl (1R,2S,4S)-4-[(2R,3R,4R,5S,6S)-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7,10-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate | | Definition date: | 2023-11-06 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | methyl (1~{R},2~{S},4~{S})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-methoxy-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-methyl-2,5,7,10-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{H}-tetracene-1-carboxylate |
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