 | | 1RZ | | Name: | Lamivudine Triphosphate | | Formula: | C8 H14 N3 O12 P3 S | | SMILES: | NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2 | | InChi: | InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1 | | Synonyms: | Lamivudine-5'-triphosphate | | Definition date: | 2013-05-14 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-16 | | Identifier: | [[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | 1S6 | | Name: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb
oxylic acid | | Formula: | C19 H21 N3 O5 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C | | InChi: | InChI=1S/C19H21N3O5S/c1-10-13(14(22-27-10)11-7-5-4-6-8-11)16(24)20-12(9-23)17-21-15(18(25)26)19(2,3)28-17/h4-9,12,15,17,21H,1-3H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1 | | Synonyms: | Oxacillin, bound form | | Definition date: | 2013-05-15 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-09 | | Identifier: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid |
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 | | 1ST | | Name: | (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[
B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE | | Formula: | C28 H24 N4 O4 | | SMILES: | O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7cc(O)ccc67)CC(NC)C8OC)C | | InChi: | InChI=1S/C28H24N4O4/c1-28-26(35-3)17(29-2)11-20(36-28)31-18-9-8-13(33)10-15(18)22-23-16(12-30-27(23)34)21-14-6-4-5-7-19(14)32(28)25(21)24(22)31/h4-10,12,17,20,26,29,33H,11H2,1-3H3/t17-,20-,26-,28+/m1/s1 | | Synonyms: | 3-HYDROXYSTAUROSPORINE | | Definition date: | 2006-08-07 | | Last modified: | 2020-06-17 | | Identifier: | (5S,6R,7R,9R)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
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 | | ICF | | Name: | 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER | | Formula: | C3 H2 Cl F5 O | | SMILES: | (2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane | | InChi: | InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1 | | Synonyms: | ISOFLURANE | | Definition date: | 2004-11-19 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-chloro-2,2,2-trifluoroethyl difluoromethyl ether |
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 | | 1TJ | | Name: | 1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione | | Formula: | C19 H12 O5 | | SMILES: | O=C2C4=C(C(=O)c1c(O)cccc12)C(=O)Cc3cc(cc(O)c34)C | | InChi: | InChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-6,20-21H,7H2,1H3 | | Synonyms: | 11-DEOXY-6-OXYLANDOMYCINONE | | Definition date: | 2013-05-30 | | Last modified: | 2020-06-17 | | Release date: | 2013-07-31 | | Identifier: | 1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione |
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 | | ID5 | | Name: | [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID | | Formula: | C17 H10 F4 N2 O4 S | | SMILES: | Fc1ccc(c(OCC(=O)O)c1)C(=O)NCc2nc3c(F)c(F)cc(F)c3s2 | | InChi: | InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25) | | Synonyms: | IDD552 | | Definition date: | 2004-05-07 | | Last modified: | 2020-06-17 | | Identifier: | (5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxy)acetic acid |
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 | | IDB | | Name: | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID | | Formula: | C20 H14 I6 N2 O6 | | SMILES: | O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I | | InChi: | InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34) | | Synonyms: | 3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOIC ACID) | | Definition date: | 2005-07-26 | | Last modified: | 2020-06-17 | | Identifier: | 3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid) |
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 | | IDJ | | Name: | (2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid | | Formula: | C6 H11 N O5 | | SMILES: | O=C(O)C1NCC(O)C(O)C1O | | InChi: | InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3+,4+,5+/m0/s1 | | Synonyms: | [2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine | | Definition date: | 2013-05-07 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-18 | | Identifier: | (2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid |
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 | | 1W3 | | Name: | 7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one | | Formula: | C20 H18 O4 | | SMILES: | O=C2Oc1cc(O)ccc1C(=C2C=Cc3cc(c(O)c(c3)C)C)C | | InChi: | InChI=1S/C20H18O4/c1-11-8-14(9-12(2)19(11)22)4-6-17-13(3)16-7-5-15(21)10-18(16)24-20(17)23/h4-10,21-22H,1-3H3/b6-4+ | | Synonyms: | (E)-7-hydroxy-3-(4-hydroxy-3,5-dimethylstyryl)-4-methyl-2H-chromen-2-one | | Definition date: | 2013-06-26 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | 7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one |
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 | | IF7 | | Name: | (3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one | | Formula: | C6 H11 N O4 | | SMILES: | OC[CH]1CNC(=O)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4+,5+/m1/s1 | | Synonyms: | ISO-GALACTO-FAGOMINE LACTAM | | Definition date: | 2015-03-17 | | Last modified: | 2020-06-17 | | Release date: | 2015-03-25 | | Identifier: | (3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one |
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 | | 1WU | | Name: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol | | Formula: | C14 H13 B F N O3 | | SMILES: | Fc3cc(ccc3Oc2ccc1c(B(O)OC1)c2)CN | | InChi: | InChI=1S/C14H13BFNO3/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11/h1-6,18H,7-8,17H2 | | Synonyms: | 6-[4-(aminomethyl)-2-fluorophenoxy]benzo[c][1,2]oxaborol-1(3H)-ol | | Definition date: | 2013-07-12 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-02 | | Identifier: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol |
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 | | 1WZ | | Name: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid | | Formula: | C19 H21 N O3 | | SMILES: | O=C(O)c1cc(cc(N(C)C)c1)C=Cc2cc(c(O)c(c2)C)C | | InChi: | InChI=1S/C19H21NO3/c1-12-7-14(8-13(2)18(12)21)5-6-15-9-16(19(22)23)11-17(10-15)20(3)4/h5-11,21H,1-4H3,(H,22,23)/b6-5+ | | Synonyms: | (E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzoic acid | | Definition date: | 2013-07-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-02 | | Identifier: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid |
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 | | 1X9 | | Name: | Cerulenin | | Formula: | C12 H17 N O3 | | SMILES: | O=C(CC/C=C/C/C=C/C)C1OC1C(=O)N | | InChi: | InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1 | | Synonyms: | (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide | | Definition date: | 2013-08-27 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide |
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 | | IGC | | Name: | N-[(1S,2R,3E)-1-({[ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]OXY}METHYL)-2-H
YDROXYHEPTADEC-3-EN-1-YL]OCTANAMIDE | | Formula: | C44 H81 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)CCCCCCC | | InChi: | InChI=1S/C44H81NO18/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-28(49)27(45-32(50)22-20-17-8-6-4-2)26-58-42-38(56)36(54)40(31(25-48)61-42)62-44-39(57)41(34(52)30(24-47)60-44)63-43-37(55)35(53)33(51)29(23-46)59-43/h19,21,27-31,33-44,46-49,51-57H,3-18,20,22-26H2,1-2H3,(H,45,50)/b21-19+/t27-,28+,29?,30+,31+,33?,34-,35?,36+,37?,38+,39+,40+,41-,42+,43?,44-/m0/s1 | | Synonyms: | ISOGLOBOTRIHEXOSYLCERAMIDE | | Definition date: | 2007-06-22 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1S,2R,3E)-1-({[hexopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}methyl)-2-hydroxyheptadec-3-en-1-yl]octanamide |
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 | | 1Y9 | | Name: | vibralactone, bound form | | Formula: | C12 H18 O3 | | SMILES: | O=CC1(C=C(CC1O)CO)CC=C(/C)C | | InChi: | InChI=1S/C12H18O3/c1-9(2)3-4-12(8-14)6-10(7-13)5-11(12)15/h3,6,8,11,13,15H,4-5,7H2,1-2H3/t11-,12-/m0/s1 | | Synonyms: | (1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde | | Definition date: | 2013-08-01 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-25 | | Identifier: | (1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde |
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 | | 1YK | | Name: | territrem B | | Formula: | C29 H34 O9 | | SMILES: | O=C4OC(c1cc(OC)c(OC)c(OC)c1)=CC=5OC3(C(O)(C2(C(=O)C=CC(C2(O)CC3)(C)C)C)CC4=5)C | | InChi: | InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1 | | Synonyms: | (4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,
11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione | | Definition date: | 2013-08-05 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-16 | | Identifier: | (4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione |
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 | | 1YQ | | Name: | (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | | Formula: | C21 H16 Cl N3 O4 | | SMILES: | N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)ccc3 | | InChi: | InChI=1S/C21H16ClN3O4/c22-16-6-7-18(29-17-5-1-3-15(13-17)4-2-9-23)19(14-16)28-12-11-25-10-8-20(26)24-21(25)27/h1-8,10,13-14H,11-12H2,(H,24,26,27)/b4-2+ | | Synonyms: | (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile | | Definition date: | 2013-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-25 | | Identifier: | (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
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 | | 1YR | | Name: | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | | Formula: | C21 H15 Br Cl N3 O4 | | SMILES: | N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)cc(Br)c3 | | InChi: | InChI=1S/C21H15BrClN3O4/c22-15-10-14(2-1-6-24)11-17(12-15)30-18-4-3-16(23)13-19(18)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | | Synonyms: | (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile | | Definition date: | 2013-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-25 | | Identifier: | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
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 | | 1Z0 | | Name: | N-methyl-D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-L-prolinamide | | Formula: | C29 H35 N7 O5 S | | SMILES: | O=C(N1CCCC1C(=O)NC(C(=O)c2nc3ccc(cc3s2)C(=O)O)CCCNC(=[N@H])N)C(NC)Cc4ccccc4 | | InChi: | InChI=1S/C29H35N7O5S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-29(30)31)24(37)26-35-19-12-11-18(28(40)41)16-23(19)42-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H,40,41)(H4,30,31,33)/t20-,21+,22-/m0/s1 | | Synonyms: | RWJ-51438 | | Definition date: | 2008-08-15 | | Last modified: | 2020-06-17 | | Identifier: | N-methyl-D-phenylalanyl-N-[(2S)-5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-L-prolinamide |
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 | | 1Z7 | | Name: | N-(3-methylbutanoyl)-L-valyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-
valinamide | | Formula: | C30 H50 N3 O8 P | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC(C(=O)OC)Cc1ccccc1)O)C(C)C)C(C)C)CC(C)C | | InChi: | InChI=1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)29(36)33-27(21(7)8)28(35)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27H,15-17H2,1-9H3,(H,31,34)(H,32,35)(H,33,36)(H,38,39)/t23-,25+,26-,27-/m0/s1 | | Synonyms: | IVA-VAL-VAL-LP(0)FOMe | | Definition date: | 2008-08-19 | | Last modified: | 2020-06-17 | | Identifier: | N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-valinamide |
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 | | IIH | | Name: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol | | Formula: | C13 H6 Cl I2 N O2 | | SMILES: | Ic3cc(c1nc2cccc(Cl)c2o1)cc(I)c3O | | InChi: | InChI=1S/C13H6ClI2NO2/c14-7-2-1-3-10-12(7)19-13(17-10)6-4-8(15)11(18)9(16)5-6/h1-5,18H | | Synonyms: | 2-(3,5-Diiodo-4-hydroxyphenyl)-7-chlorobenzoxazole | | Definition date: | 2010-04-19 | | Last modified: | 2020-06-17 | | Release date: | 2017-06-28 | | Identifier: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol |
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 | | 1ZK | | Name: | 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba
moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium | | Formula: | C45 H62 N7 O7 | | SMILES: | O=C(NCc1ncccc1)C(NC(=O)C(C(C)C)C(O)C(O)C(NC(=O)C(NC(=O)COc3c2ccccc2ccc3)Cc4cnc[nH+]4)CC5CCCCC5)C(C)CC | | InChi: | InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/p+1/t29-,35-,36-,39+,40-,41+,42+/m0/s1 | | Synonyms: | U75875 | | Definition date: | 2008-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(2S)-3-{[(1S,2R,3R,4R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium |
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 | | 20B | | Name: | 2-(3-hydroxyphenyl)-4H-chromen-4-one | | Formula: | C15 H10 O3 | | SMILES: | O=C1c3c(OC(=C1)c2cccc(O)c2)cccc3 | | InChi: | InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H | | Synonyms: | 3'-hydroxyflavone | | Definition date: | 2012-10-19 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 2-(3-hydroxyphenyl)-4H-chromen-4-one |
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 | | 20V | | Name: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic
acid | | Formula: | C18 H15 N4 O14 P S2 | | SMILES: | O=S(=O)(O)c3c2cc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc(c2cc([N+]([O-])=O)c3)S(=O)(=O)O | | InChi: | InChI=1S/C18H15N4O14PS2/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35)/b21-20+ | | Synonyms: | PPNDS | | Definition date: | 2013-08-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-02-12 | | Identifier: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid |
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 | | 219 | | Name: | cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate | | Formula: | C14 H19 O5 P | | SMILES: | c1ccc(c(c1)OP(O)(OCC2CCCCC2)=O)C=O | | InChi: | InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17) | | Synonyms: | PAS219 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate |
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