 | | SA2 | | Name: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE | | Formula: | C13 H19 N O9 S | | SMILES: | O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O | | InChi: | InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1 | | Synonyms: | 4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID | | Definition date: | 2006-06-09 | | Last modified: | 2021-03-01 | | Identifier: | (3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine |
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 | | OLJ | | Name: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(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]carbamate | | Formula: | C39 H50 N6 O9 S | | SMILES: | C5(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC8(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CC7C(C6)C7)C8)=O | | InChi: | InChI=1S/C39H50N6O9S/c1-22-34(41-31-18-26(52-3)11-12-29(31)40-22)53-28-19-32-33(46)43-39(36(48)44-55(50,51)38(2)13-14-38)20-25(39)9-7-5-4-6-8-10-30(35(47)45(32)21-28)42-37(49)54-27-16-23-15-24(23)17-27/h7,9,11-12,18,23-25,27-28,30,32H,4-6,8,10,13-17,19-21H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b9-7-/t23-,24+,25-,27+,28-,30+,32+,39-/m1/s1 | | Synonyms: | P4-7 (NR03-77) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(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]carbamate |
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 | | OPC | | Name: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE | | Formula: | C45 H87 N O8 P | | SMILES: | O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)(C)COC(=O)CCCCCCC=C/CCCCCCCCC)CCCCCC/C=C/CCCCCCCCC | | InChi: | InChI=1S/C45H86NO8P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(47)51-41-45(3,42-53-55(49,50)52-40-39-46(4,5)6)54-44(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h23-26H,7-22,27-42H2,1-6H3/p+1/b25-23-,26-24+/t45-/m1/s1 | | Synonyms: | DIOLEOYL-PHOSPHATIDYLCHOLINE | | Definition date: | 2003-10-02 | | Last modified: | 2021-03-01 | | Identifier: | (4S,7R,17Z)-4-hydroxy-N,N,N,7-tetramethyl-7-[(8E)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide |
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 | | ORA | | Name: | 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid | | Formula: | C16 H12 N2 O7 S2 | | SMILES: | O=S(=O)(O)c3c2c(ccc(O)c2/N=N/c1ccccc1)cc(c3)S(=O)(=O)O | | InChi: | InChI=1S/C16H12N2O7S2/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+ | | Synonyms: | Orange G | | Definition date: | 2010-10-27 | | Last modified: | 2021-03-01 | | Identifier: | 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid |
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 | | ORI | | Name: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid | | Formula: | C16 H12 N2 O4 S | | SMILES: | O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3 | | InChi: | InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+ | | Synonyms: | Orange I | | Definition date: | 2013-03-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-12 | | Identifier: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid |
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 | | KN9 | | Name: | N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide | | Formula: | C26 H29 Cl N2 O4 S | | SMILES: | CN(Cc1ccccc1N(CCO)S(c2ccc(OC)cc2)(=O)=O)CC=Cc3ccc(cc3)Cl | | InChi: | InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+ | | Synonyms: | N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide | | Definition date: | 2018-08-21 | | Last modified: | 2021-03-01 | | Release date: | 2019-08-28 | | Identifier: | N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide |
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 | | QEI | | Name: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C12 H15 N5 O3 | | SMILES: | O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O | | InChi: | InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1 | | Synonyms: | queuine | | Definition date: | 2007-12-13 | | Last modified: | 2021-03-01 | | Identifier: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | SFM | | Name: | (13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE | | Formula: | C39 H56 N4 O10 | | SMILES: | O=C1OC(C(=C/CO)/C)CC=CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC(C(=O)N2NC1CCC2)Cc3cccc(O)c3)C(C)C)CCC(=O)C | | InChi: | InChI=1S/C39H56N4O10/c1-23(2)34-37(50)40-31(22-27-11-9-12-28(46)21-27)38(51)43-19-10-13-30(42-43)39(52)53-33(24(3)18-20-44)15-8-6-7-14-32(47)26(5)35(48)29(36(49)41-34)17-16-25(4)45/h6-9,11-12,14,18,21,23,26,29-35,42,44,46-48H,10,13,15-17,19-20,22H2,1-5H3,(H,40,50)(H,41,49)/b8-6+,14-7+,24-18+/t26-,29+,30-,31-,32-,33-,34-,35+/m0/s1 | | Synonyms: | ANALOGUE OF MACROLIDE FROM DEGRADED SANGLIFEHRIN A | | Definition date: | 2003-03-14 | | Last modified: | 2021-03-01 | | Identifier: | (3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-10,12-dihydroxy-3-(3-hydroxybenzyl)-18-[(2E)-4-hydroxybut-2-en-2-yl]-11-methyl-9-(3-oxobutyl)-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone |
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 | | SFT | | Name: | SULFOGALACTOCERAMIDE | | Formula: | C48 H93 N O12 S | | SMILES: | O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO | | InChi: | InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1 | | Synonyms: | SULFATIDE | | Definition date: | 2005-01-12 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracosanamide |
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 | | SGF | | Name: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside | | Formula: | C24 H47 N O10 S | | SMILES: | O=S(=O)(O)OC1C(O)C(OC(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO | | InChi: | InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-33-24-22(29)23(35-36(30,31)32)21(28)20(16-26)34-24/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22+,23-,24+/m0/s1 | | Synonyms: | Sphingosine-1-galactoside-3-sulfate | | Definition date: | 2012-05-11 | | Last modified: | 2021-03-01 | | Release date: | 2013-02-01 | | Identifier: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside |
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 | | RPG | | Name: | (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid | | Formula: | C20 H32 O4 | | SMILES: | CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O | | InChi: | InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1 | | Synonyms: | PROSTAGLANDIN A1 (PGA1) | | Definition date: | 2017-08-17 | | Last modified: | 2021-03-01 | | Release date: | 2018-12-26 | | Identifier: | 7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]heptanoic acid |
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 | | N7I | | Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol | | Formula: | C10 H12 O3 | | SMILES: | Oc1ccc(cc1OC)/C=C/CO | | InChi: | InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ | | Synonyms: | Coniferyl alcohol | | Definition date: | 2010-06-02 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol |
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 | | RR1 | | Name: | 5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLAMINO)-4-HYDROXY-3-(2-SULFO-PHENYLAZO)-NAPHTHALENE-2,7-DISULFONIC ACID | | Formula: | C19 H16 N8 O10 S3 | | SMILES: | O=S(=O)(O)c4ccccc4/N=N/c2c(O)c1c(cc(cc1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3nc(nc(n3)N)N | | InChi: | InChI=1S/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-26+ | | Synonyms: | REACTIVE RED 1 DYE | | Definition date: | 2001-03-07 | | Last modified: | 2021-03-01 | | Identifier: | 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid |
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 | | RR6 | | Name: | 3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-HYDROXY-5-SULFO-PHENYLAZO)-BENZYL]-2-SULFO-ETHYLAMINO}-[1,2,5]TRIAZIN-2-YLAMINO)-2-(2-HYDROXY-5-SULFO-PHENYLAZO)-NAPTHALENE-1,8-DISULFONIC ACID | | Formula: | C35 H25 N9 O22 S6 | | SMILES: | O=S(=O)(O)c7cc(/N=N/c2c(O)c1ccc(c(c1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3ncnc(n3)Nc4c(c6c(cc4)c(O)c(/N=N/c5cc(ccc5O)S(=O)(=O)O)c(c6)S(=O)(=O)O)S(=O)(=O)O)c(O)cc7 | | InChi: | InChI=1S/C35H25N9O22S6/c45-24-7-1-14(67(49,50)51)9-22(24)41-43-28-26(69(55,56)57)11-18-16(30(28)47)3-5-20(32(18)71(61,62)63)38-34-36-13-37-35(40-34)39-21-6-4-17-19(33(21)72(64,65)66)12-27(70(58,59)60)29(31(17)48)44-42-23-10-15(68(52,53)54)2-8-25(23)46/h1-13,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,36,37,38,39,40)/b43-41+,44-42+ | | Synonyms: | AZO-DYE RR6 HAPTEN | | Definition date: | 2000-07-14 | | Last modified: | 2021-03-01 | | Identifier: | 2,2'-(1,3,5-triazine-2,4-diyldiimino)bis{5-hydroxy-6-[(E)-(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid} |
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 | | R07 | | Name: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione | | Formula: | C24 H20 F3 N3 O3 S | | SMILES: | C1(=O)C=CN5C(=C1O)C(=O)N(CN5C3c2ccccc2SCc4c3cccc4)C(C(F)(F)F)C | | InChi: | InChI=1S/C24H20F3N3O3S/c1-14(24(25,26)27)28-13-30(29-11-10-18(31)22(32)21(29)23(28)33)20-16-7-3-2-6-15(16)12-34-19-9-5-4-8-17(19)20/h2-11,14,20,32H,12-13H2,1H3/t14-,20+/m1/s1 | | Synonyms: | RO-7 | | Definition date: | 2017-05-11 | | Last modified: | 2021-03-01 | | Release date: | 2018-04-11 | | Identifier: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione |
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 | | SMZ | | Name: | N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine | | Formula: | C7 H15 N3 O2 S | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])SC | | InChi: | InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1 | | Synonyms: | S-methyl-L-thiocitrulline | | Definition date: | 2008-01-15 | | Last modified: | 2021-03-01 | | Identifier: | N~5~-[(Z)-imino(methylsulfanyl)methyl]-L-ornithine |
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 | | 8BD | | Name: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid | | Formula: | C11 H13 N O4 | | SMILES: | O=C(O)CCON=C/c1ccccc1OC | | InChi: | InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8- | | Synonyms: | (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid | | Definition date: | 2009-04-06 | | Last modified: | 2021-03-01 | | Identifier: | 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid |
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 | | 0WM | | Name: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide | | Formula: | C24 H25 Cl F N5 O3 | | SMILES: | Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)/C=C/CN(C)C | | InChi: | InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | | Synonyms: | Afatinib | | Definition date: | 2012-07-26 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
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 | | 0XR | | Name: | ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | | Formula: | C11 H12 O4 | | SMILES: | O=C(OCC)C=Cc1cc(O)c(O)cc1 | | InChi: | InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+ | | Synonyms: | ethyl caffeate | | Definition date: | 2012-08-31 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-19 | | Identifier: | ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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 | | 17S | | Name: | N-({(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | | Formula: | C15 H21 N3 O6 S | | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(OC)cc2 | | InChi: | InChI=1S/C15H21N3O6S/c1-23-9-4-2-8(3-5-9)6-16-18-15(25)17-14-13(22)12(21)11(20)10(7-19)24-14/h2-6,10-14,19-22H,7H2,1H3,(H2,17,18,25)/b16-6+/t10-,11-,12+,13-,14-/m1/s1 | | Synonyms: | 4-methoxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | | Definition date: | 2010-05-03 | | Last modified: | 2021-03-01 | | Identifier: | N-{[(2E)-2-(4-methoxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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 | | 18S | | Name: | N-({(2E)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | | Formula: | C15 H21 N3 O5 S | | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(cc2)C | | InChi: | InChI=1S/C15H21N3O5S/c1-8-2-4-9(5-3-8)6-16-18-15(24)17-14-13(22)12(21)11(20)10(7-19)23-14/h2-6,10-14,19-22H,7H2,1H3,(H2,17,18,24)/b16-6+/t10-,11-,12+,13-,14-/m1/s1 | | Synonyms: | 4-methylbenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | | Definition date: | 2010-05-03 | | Last modified: | 2021-03-01 | | Identifier: | N-{[(2E)-2-(4-methylbenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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 | | B89 | | Name: | (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one | | Formula: | C17 H24 Cl N O4 | | SMILES: | Cl[C@H]=CCON=C(C=2C(=O)CC(C1CCOCC1)CC=2O)CC | | InChi: | InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+/t13-/m0/s1 | | Synonyms: | tepraloxydim | | Definition date: | 2009-10-19 | | Last modified: | 2021-03-01 | | Identifier: | (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one |
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 | | BAG | | Name: | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-2-HYDROXYVINYL]BENZAMIDE | | Formula: | C13 H19 N5 O2 | | SMILES: | O=C(N/C(=C(/O)N)CCCNC(=[N@H])N)c1ccccc1 | | InChi: | InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,19H,4,7-8,14H2,(H,18,20)(H4,15,16,17) | | Synonyms: | BENZOYL-L-ARGININE AMIDE | | Definition date: | 2004-05-13 | | Last modified: | 2021-03-01 | | Identifier: | N-{(1E)-1-[amino(hydroxy)methylidene]-4-carbamimidamidobutyl}benzamide |
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 | | LGN | | Name: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide | | Formula: | C62 H117 N O18 | | SMILES: | O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)54(72)58(49(43-66)79-60)80-62-57(75)59(52(70)48(42-65)78-62)81-61-55(73)53(71)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1 | | Synonyms: | Isoglobotrihexosylceramide | | Definition date: | 2011-05-13 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
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 | | LIH | | Name: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | | Formula: | C18 H17 N7 | | SMILES: | n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4 | | InChi: | InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25) | | Synonyms: | SRI-9439 | | Definition date: | 2002-01-07 | | Last modified: | 2021-03-01 | | Identifier: | 5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine |
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