![254 254](https://data.pdbj.org/pdbjplus/data/cc/svg/254.svg) | 254 | Name: | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | Formula: | C26 H27 N O3 | SMILES: | O=C(O)c2ccc1cc(ccc1c2)C(=NO)/c3ccc4c(c3)C(CCC4(C)C)(C)C | InChi: | InChI=1S/C26H27NO3/c1-25(2)11-12-26(3,4)22-15-19(9-10-21(22)25)23(27-30)18-7-5-17-14-20(24(28)29)8-6-16(17)13-18/h5-10,13-15,30H,11-12H2,1-4H3,(H,28,29)/b27-23+ | Synonyms: | SR11254 | Definition date: | 2000-08-08 | Last modified: | 2020-06-17 | Identifier: | 6-[(E)-(hydroxyimino)(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid |
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![25B 25B](https://data.pdbj.org/pdbjplus/data/cc/svg/25B.svg) | 25B | Name: | (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide | Formula: | C27 H34 Cl N O4 S | SMILES: | O=C(c1ccc(Cl)cc1)C3C(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCCC)CCCC3 | InChi: | InChI=1S/C27H34ClNO4S/c1-2-3-9-22(18-19-34(32,33)23-10-5-4-6-11-23)29-27(31)25-13-8-7-12-24(25)26(30)20-14-16-21(28)17-15-20/h4-6,10-11,14-17,22,24-25H,2-3,7-9,12-13,18-19H2,1H3,(H,29,31)/t22-,24+,25+/m0/s1 | Synonyms: | (1R,2R)-2-(4-chlorobenzoyl)-N-((S,E)-1-(phenylsulfonyl)hept-1-en-3-yl)cyclohexanecarboxamide | Definition date: | 2009-05-13 | Last modified: | 2020-06-17 | Identifier: | (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide |
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![CPS CPS](https://data.pdbj.org/pdbjplus/data/cc/svg/CPS.svg) | CPS | Name: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE | Formula: | C32 H58 N2 O7 S | SMILES: | [O-]S(=O)(=O)CCC[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C | InChi: | InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 | Synonyms: | CHAPS | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 3-[dimethyl(3-{[(3beta,5alpha,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonate |
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![CPV CPV](https://data.pdbj.org/pdbjplus/data/cc/svg/CPV.svg) | CPV | Name: | 5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID | Formula: | C15 H29 N O3 | SMILES: | O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1 | InChi: | InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1 | Synonyms: | (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid |
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![27E 27E](https://data.pdbj.org/pdbjplus/data/cc/svg/27E.svg) | 27E | Name: | chlordecone | Formula: | C10 Cl10 O | SMILES: | O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl | InChi: | InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/t2-,3+,4-,5+,6+,7-,8+,9- | Synonyms: | (1R,3aR,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one | Definition date: | 2013-09-05 | Last modified: | 2020-06-17 | Release date: | 2014-09-03 | Identifier: | (1R,3aR,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one |
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![27H 27H](https://data.pdbj.org/pdbjplus/data/cc/svg/27H.svg) | 27H | Name: | ferutinine | Formula: | C22 H30 O4 | SMILES: | O=C(OC1C2C(CC=C(C)C1)(CCC2(O)C(C)C)C)c3ccc(O)cc3 | InChi: | InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1 | Synonyms: | (3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate | Definition date: | 2013-09-05 | Last modified: | 2020-06-17 | Release date: | 2014-09-03 | Identifier: | (3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate |
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![CQX CQX](https://data.pdbj.org/pdbjplus/data/cc/svg/CQX.svg) | CQX | Name: | (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol | Formula: | C18 H36 O7 | SMILES: | CCCCCCCCCCOCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-23-11-12-24-18-17(22)16(21)15(20)14(13-19)25-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | Synonyms: | 3-Oxatridecyl-alpha-D-mannopyranoside | Definition date: | 2019-05-14 | Last modified: | 2020-06-17 | Release date: | 2019-09-18 | Identifier: | (2~{S},3~{S},4~{S},5~{S},6~{R})-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
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![27O 27O](https://data.pdbj.org/pdbjplus/data/cc/svg/27O.svg) | 27O | Name: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid | Formula: | C19 H22 O2 | SMILES: | O=C(O)C(c2ccc(c1ccccc12)C3CCCCC3)C | InChi: | InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)/t13-/m1/s1 | Synonyms: | (R)-Vedaprofen | Definition date: | 2013-09-05 | Last modified: | 2020-06-17 | Release date: | 2013-09-18 | Identifier: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid |
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![CR3 CR3](https://data.pdbj.org/pdbjplus/data/cc/svg/CR3.svg) | CR3 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | Formula: | C20 H21 N3 O2 | SMILES: | [O-]c4c(OC1CCCC1)cccc4c3cc2cc(ccc2n3)C(=[NH2+])N | InChi: | InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22) | Synonyms: | CRA_10433 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-indol-2-yl}-6-(cyclopentyloxy)phenolate |
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![CR4 CR4](https://data.pdbj.org/pdbjplus/data/cc/svg/CR4.svg) | CR4 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE | Formula: | C14 H12 N4 O | SMILES: | [O-]c3ccccc3c2nc1cc(ccc1n2)C(=[NH2+])N | InChi: | InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18) | Synonyms: | CRA_1144 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}phenolate |
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![CR9 CR9](https://data.pdbj.org/pdbjplus/data/cc/svg/CR9.svg) | CR9 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | Formula: | C21 H23 F N4 O2 | SMILES: | [O-]c4c(OC1CCCCC1C)cccc4c3nc2cc(c(F)cc2n3)C(=[NH2+])N | InChi: | InChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/t11-,17-/m0/s1 | Synonyms: | CRA_11092 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-{[(1S,2S)-2-methylcyclohexyl]oxy}phenolate |
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![CRB CRB](https://data.pdbj.org/pdbjplus/data/cc/svg/CRB.svg) | CRB | Name: | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID | Formula: | C8 H15 O8 P | SMILES: | O=C(O)C1(O)CC(O)C(O)C(CP(=O)(O)O)C1 | InChi: | InChI=1S/C8H15O8P/c9-5-2-8(13,7(11)12)1-4(6(5)10)3-17(14,15)16/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)/t4-,5-,6-,8+/m1/s1 | Synonyms: | CARBAPHOSPHONATE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexanecarboxylic acid |
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![CRJ CRJ](https://data.pdbj.org/pdbjplus/data/cc/svg/CRJ.svg) | CRJ | Name: | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETH
YL]-L-ALANINAMIDE | Formula: | C20 H22 F4 N4 O4 S | SMILES: | O=C3NC(CS(=O)(=O)CC(C(=O)NC1(C#N)CC1)NC(c2ccc(F)cc2)C(F)(F)F)CC3 | InChi: | InChI=1S/C20H22F4N4O4S/c21-13-3-1-12(2-4-13)17(20(22,23)24)27-15(18(30)28-19(11-25)7-8-19)10-33(31,32)9-14-5-6-16(29)26-14/h1-4,14-15,17,27H,5-10H2,(H,26,29)(H,28,30)/t14-,15-,17-/m0/s1 | Synonyms: | N-(1-CYANO-CYCLOPROPYL)-3-(5-OXO-PYRROLIDIN-2-YLMETHANESULFONYL)-2-[2,2,2-TR
IFLUORO-1-(4-FLUORO-PHENYL)-ETHYLAMINO]-PROPIONAMIDE | Definition date: | 2006-01-25 | Last modified: | 2020-06-17 | Identifier: | N-(1-cyanocyclopropyl)-3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide |
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![CRP CRP](https://data.pdbj.org/pdbjplus/data/cc/svg/CRP.svg) | CRP | Name: | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE | Formula: | C15 H18 Cl3 N O | SMILES: | O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl | InChi: | InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1 | Synonyms: | CARPROPAMID | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide |
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![CRR CRR](https://data.pdbj.org/pdbjplus/data/cc/svg/CRR.svg) | CRR | Name: | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID | Formula: | C22 H15 N3 O4 | SMILES: | O=C(O)c5c(c2c1ccccc1nc2)c(c4c3ccccc3nc4)c(C(=O)O)n5 | InChi: | InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29) | Synonyms: | CHROMOPYRROLIC ACID | Definition date: | 2007-06-07 | Last modified: | 2020-06-17 | Identifier: | 3,4-di-1H-indol-3-yl-1H-pyrrole-2,5-dicarboxylic acid |
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![CRT CRT](https://data.pdbj.org/pdbjplus/data/cc/svg/CRT.svg) | CRT | Name: | SPIRILLOXANTHIN | Formula: | C42 H60 O2 | SMILES: | O(C)C(C)(C)C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C)C)C)C | InChi: | InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+ | Synonyms: | RHODOVIOLASCIN | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (3E,3'E,15cis)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene |
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![CRZ CRZ](https://data.pdbj.org/pdbjplus/data/cc/svg/CRZ.svg) | CRZ | Name: | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | Formula: | C16 H15 N O2 | SMILES: | O=C(O)CCCn3c1ccccc1c2c3cccc2 | InChi: | InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19) | Synonyms: | CARBAZOLE BUTANOIC ACID | Definition date: | 2004-06-22 | Last modified: | 2020-06-17 | Identifier: | 4-(9H-carbazol-9-yl)butanoic acid |
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![CS4 CS4](https://data.pdbj.org/pdbjplus/data/cc/svg/CS4.svg) | CS4 | Name: | S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE | Formula: | C12 H13 Cl2 N O3 S | SMILES: | Clc1ccc(C(=O)CCSCC(C(=O)O)N)cc1Cl | InChi: | InChI=1S/C12H13Cl2NO3S/c13-8-2-1-7(5-9(8)14)11(16)3-4-19-6-10(15)12(17)18/h1-2,5,10H,3-4,6,15H2,(H,17,18)/t10-/m0/s1 | Synonyms: | (R)-2-AMINO-3-(3-(3,4-DICHLOROPHENYL)-3-OXOPROPYLTHIO)PROPANOIC ACID | Definition date: | 2007-02-07 | Last modified: | 2020-06-17 | Identifier: | S-[3-(3,4-dichlorophenyl)-3-oxopropyl]-L-cysteine |
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![CSC CSC](https://data.pdbj.org/pdbjplus/data/cc/svg/CSC.svg) | CSC | Name: | 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM | Formula: | C16 H22 N3 O8 S | SMILES: | O=C2N1C(=C(CSC1C2NC(=O)CCCC(C(=O)O)[NH3+])COC(=O)C)C(=O)O | InChi: | InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p+1/t9-,11-,14-/m1/s1 | Synonyms: | CEPHALOSPORIN C | Definition date: | 2003-07-18 | Last modified: | 2020-06-17 | Identifier: | (1R)-5-({(6R,7R)-3-[(acetyloxy)methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}amino)-1-carboxy-5-oxopentan-1-aminium |
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![CSF CSF](https://data.pdbj.org/pdbjplus/data/cc/svg/CSF.svg) | CSF | Name: | CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID | Formula: | C20 H30 F N4 O16 P | SMILES: | FC3C(O)C(NC(=O)C)C(OC3(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)C(=O)O)C(O)C(O)CO | InChi: | InChI=1S/C20H30FN4O16P/c1-6(27)23-10-13(31)16(21)20(18(33)34,40-15(10)11(29)7(28)4-26)41-42(36,37)38-5-8-12(30)14(32)17(39-8)25-3-2-9(22)24-19(25)35/h2-3,7-8,10-17,26,28-32H,4-5H2,1H3,(H,23,27)(H,33,34)(H,36,37)(H2,22,24,35)/t7-,8-,10-,11-,12-,13-,14-,15-,16-,17-,20-/m1/s1 | Synonyms: | CMP-3FNEUAC | Definition date: | 2003-12-04 | Last modified: | 2020-06-17 | Identifier: | (2S,3R,4R,5R,6R)-5-(acetylamino)-2-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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![CSG CSG](https://data.pdbj.org/pdbjplus/data/cc/svg/CSG.svg) | CSG | Name: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) | Formula: | C9 H17 N4 O13 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(N)C2O | InChi: | InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3,11H2,(H,19,20)(H,21,22)(H2,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | Synonyms: | 2'-amino-2'-deoxycytidine-5'-triphosphate | Definition date: | 2009-04-23 | Last modified: | 2020-06-17 | Identifier: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) |
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![CT8 CT8](https://data.pdbj.org/pdbjplus/data/cc/svg/CT8.svg) | CT8 | Name: | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE | Formula: | C17 H14 Br N6 | SMILES: | Brc4cccc(c1nc3ncn[n+]3c(c1)NCc2ccncc2)c4 | InChi: | InChI=1S/C17H13BrN6/c18-14-3-1-2-13(8-14)15-9-16(24-17(23-15)21-11-22-24)20-10-12-4-6-19-7-5-12/h1-9,11H,10H2,(H,20,21,22,23)/p+1 | Synonyms: | TRIAZOLOPYRIMIDINE | Definition date: | 2005-11-08 | Last modified: | 2020-06-17 | Identifier: | 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium |
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![CTI CTI](https://data.pdbj.org/pdbjplus/data/cc/svg/CTI.svg) | CTI | Name: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium | Formula: | C21 H18 N O4 | SMILES: | O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)c(OC)c(OC)cc5 | InChi: | InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1 | Synonyms: | chelerythrine | Definition date: | 2010-12-21 | Last modified: | 2020-06-17 | Identifier: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
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![28E 28E](https://data.pdbj.org/pdbjplus/data/cc/svg/28E.svg) | 28E | Name: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | Formula: | C15 H14 O6 | SMILES: | Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O | InChi: | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 | Synonyms: | Epicatechin | Definition date: | 2013-09-09 | Last modified: | 2020-06-17 | Release date: | 2013-11-27 | Identifier: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
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![CU9 CU9](https://data.pdbj.org/pdbjplus/data/cc/svg/CU9.svg) | CU9 | Name: | 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium | Formula: | C40 H48 N2 O6 | SMILES: | O(c7ccc5cc7Oc1cc2c(cc1OC)CC[N+](C2Cc6ccc(Oc3c4c(cc(OC)c3OC)CC[N+](C)(C)C4C5)cc6)(C)C)C | InChi: | InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1 | Synonyms: | metocurine | Definition date: | 2010-10-29 | Last modified: | 2020-06-17 | Identifier: | 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium |
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