 | | 971 | | Name: | 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one | | Formula: | C20 H24 N8 O | | SMILES: | C5(CN(c1ncc2c(c1)c(nn2)c3cccc(n3)N4CCNCC4)CCN5C)=O | | InChi: | InChI=1S/C20H24N8O/c1-26-9-10-28(13-19(26)29)18-11-14-16(12-22-18)24-25-20(14)15-3-2-4-17(23-15)27-7-5-21-6-8-27/h2-4,11-12,21H,5-10,13H2,1H3,(H,24,25) | | Synonyms: | Cpd1 | | Definition date: | 2017-04-04 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-18 | | Identifier: | 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one |
|
 | | 972 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE | | Formula: | C18 H19 Cl N4 O2 | | SMILES: | [O-]c3c(OCC(C)C)cccc3c2nc1cc(c(Cl)cc1n2)C(=[NH2+])N | | InChi: | InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23) | | Synonyms: | CRA_10972 | | Definition date: | 2003-03-14 | | Last modified: | 2020-06-17 | | Identifier: | 2-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate |
|
 | | GC2 | | Name: | 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE | | Formula: | C10 H18 N2 O4 | | SMILES: | O=C(NC2C(O)C(O)C1N(CCC1O)C2)C | | InChi: | InChI=1S/C10H18N2O4/c1-5(13)11-6-4-12-3-2-7(14)8(12)10(16)9(6)15/h6-10,14-16H,2-4H2,1H3,(H,11,13)/t6-,7-,8+,9+,10+/m0/s1 | | Synonyms: | N-[(1S,6S,7R,8R,8AR)-1,7,8-TRIHYDROXYOCTAHYDROINDOLIZIN-6-YL]ACETAMIDE | | Definition date: | 2010-07-02 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1S,6S,7R,8R,8aR)-1,7,8-trihydroxyoctahydroindolizin-6-yl]acetamide |
|
 | | GCH | | Name: | GLYCOCHOLIC ACID | | Formula: | C26 H43 N O6 | | SMILES: | O=C(O)CNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C | | InChi: | InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 | | Synonyms: | N-CHOLYLGLYCINE | | Definition date: | 2000-03-09 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine |
|
 | | GCQ | | Name: | GEMCITABINE DIPHOSPHATE | | Formula: | C9 H13 F2 N3 O10 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(F)(F)C2O | | InChi: | InChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1 | | Synonyms: | ((2R,3R,5R)-5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-4,4-DIFLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TRIHYDROGEN
DIPHOSPHATE | | Definition date: | 2005-11-22 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-2',2'-difluorocytidine 5'-(trihydrogen diphosphate) |
|
 | | 987 | | Name: | N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid
e | | Formula: | C22 H27 Cl N4 O4 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)NC4C(=O)N(C(C(=O)N3CCCC(N)C3)C)CC4 | | InChi: | InChI=1S/C22H27ClN4O4S/c1-14(21(28)26-9-2-3-18(24)13-26)27-10-8-20(22(27)29)25-32(30,31)19-7-5-15-11-17(23)6-4-16(15)12-19/h4-7,11-12,14,18,20,25H,2-3,8-10,13,24H2,1H3/t14-,18-,20-/m0/s1 | | Synonyms: | GTC000422 | | Definition date: | 2015-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | N-[(3S)-1-{(2S)-1-[(3S)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide |
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 | | GCY | | Name: | N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide | | Formula: | C48 H93 N O8 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1 | | Synonyms: | beta-Galactosylceramide, Ceramide beta-D-galactoside | | Definition date: | 2011-08-25 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide |
|
 | | GDE | | Name: | 3,4,5-trihydroxybenzoic acid | | Formula: | C7 H6 O5 | | SMILES: | O=C(O)c1cc(O)c(O)c(O)c1 | | InChi: | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) | | Synonyms: | Gallate | | Definition date: | 2011-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-22 | | Identifier: | 3,4,5-trihydroxybenzoic acid |
|
 | | GDG | | Name: | GDP-ALPHA-D-GLUCOSE | | Formula: | C16 H25 N5 O16 P2 | | SMILES: | C1(C(O)C(C(C(O1)CO)O)O)OP(OP(OCC4C(C(C(n2cnc3c2NC(=NC3=O)N)O4)O)O)(O)=O)(O)=O | | InChi: | InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1 | | Synonyms: | GDP-ALPHA-D-GLUCOSE | | Definition date: | 2006-09-05 | | Last modified: | 2020-06-17 | | Release date: | 2017-06-21 | | Identifier: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
|
 | | 998 | | Name: | N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE | | Formula: | C25 H38 N4 O3 | | SMILES: | O=C(NC2c1ccccc1CCC2)C3N(C(=O)C(NC(=O)C(NC)C)C(C)(C)C)CCC3 | | InChi: | InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19+,20-,21+/m0/s1 | | Synonyms: | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-PYRROLIDINE-2-CARBOXYLIC
ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | | Definition date: | 2004-06-22 | | Last modified: | 2020-06-17 | | Identifier: | N-methyl-L-alanyl-3-methyl-L-valyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide |
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 | | 99M | | Name: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo
[3,4-d]pyrimidin-3-one | | Formula: | C26 H29 N7 O3 | | SMILES: | c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc4ccc(cc4)N5CCOCC5)CC=C)C(C)(O)C | | InChi: | InChI=1S/C26H29N7O3/c1-4-12-32-24(34)20-17-27-25(28-18-8-10-19(11-9-18)31-13-15-36-16-14-31)30-23(20)33(32)22-7-5-6-21(29-22)26(2,3)35/h4-11,17,35H,1,12-16H2,2-3H3,(H,27,28,30) | | Synonyms: | RAC-IV-050 | | Definition date: | 2017-04-11 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-04 | | Identifier: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
|
 | | 99T | | Name: | L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine | | Formula: | C13 H21 N3 O8 S | | SMILES: | O=C(NC(C(=O)NCC(=O)O)CSCCC(=O)O)CCC(C(=O)O)N | | InChi: | InChI=1S/C13H21N3O8S/c14-7(13(23)24)1-2-9(17)16-8(6-25-4-3-10(18)19)12(22)15-5-11(20)21/h7-8H,1-6,14H2,(H,15,22)(H,16,17)(H,18,19)(H,20,21)(H,23,24)/t7-,8-/m0/s1 | | Synonyms: | S-(propanoic acid)glutathione | | Definition date: | 2013-01-03 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-15 | | Identifier: | L-gamma-glutamyl-S-(2-carboxyethyl)-L-cysteinylglycine |
|
 | | GEK | | Name: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio]
-2-ammoniobutanoate | | Formula: | C16 H22 N6 O7 S | | SMILES: | [O-]C(=O)C[S+](CCC(C([O-])=O)[NH3+])CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30-/m0/s1 | | Synonyms: | CARBOXY-S-ADENOSYLMETHIONINE | | Definition date: | 2012-08-29 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio]-2-ammoniobutanoate |
|
 | | GEM | | Name: | (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID | | Formula: | C7 H13 N3 O4 S | | SMILES: | O=C(O)C(SCCNC(=[N@H])N)CC(=O)O | | InChi: | InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1 | | Synonyms: | 2-GUANIDINOETHYLTHIO)SUCCINIC ACID | | Definition date: | 2001-02-12 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-[(2-carbamimidamidoethyl)sulfanyl]butanedioic acid |
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 | | GEN | | Name: | GENISTEIN | | Formula: | C15 H10 O5 | | SMILES: | O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3O | | InChi: | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H | | Synonyms: | 5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE | | Definition date: | 1999-07-28 | | Last modified: | 2020-06-17 | | Identifier: | 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one |
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 | | GEO | | Name: | GEMCITABINE | | Formula: | C9 H11 F2 N3 O4 | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2(F)F)CO | | InChi: | InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 | | Synonyms: | 2',2'-DIFLUORODEOXYCYTIDINE | | Definition date: | 2003-04-29 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-2',2'-difluorocytidine |
|
 | | 19F | | Name: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one | | Formula: | C27 H32 N4 O4 | | SMILES: | O=C1c3c(nc(n3N=C(N1)Cc2ccc(OC)c(OC)c2)C(CCCc4ccccc4)C(O)C)C | | InChi: | InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1 | | Synonyms: | BAY60-7550 | | Definition date: | 2012-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one |
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 | | GEV | | Name: | (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione | | Formula: | C23 H18 N2 O4 S | | SMILES: | c4ccc(c3nc(CCC(c2ccc(C=C1C(NC(=O)S1)=O)cc2)=O)c(C)o3)cc4 | | InChi: | InChI=1S/C23H18N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,13H,11-12H2,1H3,(H,25,27,28) | | Synonyms: | Darglitazone | | Definition date: | 2018-05-18 | | Last modified: | 2020-06-17 | | Release date: | 2019-05-22 | | Identifier: | (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione |
|
 | | 9AR | | Name: | 9-HYDROXY ARISTOLOCHIC ACID | | Formula: | C17 H11 N O8 | | SMILES: | [O-][N+](=O)c1cc4c(c2c1c(C(=O)O)cc3OCOc23)ccc(O)c4OC | | InChi: | InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21) | | Synonyms: | 9-HYDROXY-8-METHOXY-6-NITRO-PHENANTHROL[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID | | Definition date: | 2000-10-06 | | Last modified: | 2020-06-17 | | Identifier: | 9-hydroxy-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid |
|
 | | 9AZ | | Name: | (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid | | Formula: | C20 H19 N3 O5 | | SMILES: | O=C(O)C(O)(C=4C=C3c2nc1cccc(N)c1cc2CN3C(=O)C=4CO)CC | | InChi: | InChI=1S/C20H19N3O5/c1-2-20(28,19(26)27)13-7-16-17-10(8-23(16)18(25)12(13)9-24)6-11-14(21)4-3-5-15(11)22-17/h3-7,24,28H,2,8-9,21H2,1H3,(H,26,27)/t20-/m0/s1 | | Synonyms: | 9 Amino camptothecin, open form | | Definition date: | 2013-07-03 | | Last modified: | 2020-06-17 | | Release date: | 2013-07-24 | | Identifier: | (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid |
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 | | GFN | | Name: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | | Formula: | C19 H22 F N3 O4 | | SMILES: | CC4CN(c2c(F)cc1C(C(=CN(c1c2OC)C3CC3)C(O)=O)=O)CCN4 | | InChi: | InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/t10-/m0/s1 | | Synonyms: | Gatifloxacin | | Definition date: | 2015-06-04 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-02 | | Identifier: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
|
 | | 9B7 | | Name: | 3',3'-cdIMP | | Formula: | C20 H22 N8 O14 P2 | | SMILES: | C5(C(C1C(COP(=O)(OC2C(COP(O1)(O)=O)OC(C2O)n4c3c(C(N=CN3)=O)nc4)O)O5)O)n7c6NC=NC(=O)c6nc7 | | InChi: | InChI=1S/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Synonyms: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-3,5,10,12-tetrahydroxy-2,9-bis(6-oxo-3,6-dihydro-9H-purin-9-yl)octahydro-2H,5H,
7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione | | Definition date: | 2017-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2017-09-27 | | Identifier: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-3,5,10,12-tetrahydroxy-2,9-bis(6-oxo-3,6-dihydro-9H-purin-9-yl)octahydro-2H,5H,7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione |
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 | | 1AE | | Name: | (1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE | | Formula: | C6 H11 O6 P | | SMILES: | O=P(OC=C(/O)C(=O)CCC)(O)O | | InChi: | InChI=1S/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4- | | Synonyms: | 2,3-DIKETOHEXANE 1-PHOSPHATE | | Definition date: | 2007-01-12 | | Last modified: | 2020-06-17 | | Identifier: | (1Z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate |
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 | | 1AW | | Name: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea | | Formula: | C20 H23 N5 O | | SMILES: | O=C(Nc1ccccc1)Nc3cc(nn3c2cc(ccc2)N)C(C)(C)C | | InChi: | InChI=1S/C20H23N5O/c1-20(2,3)17-13-18(23-19(26)22-15-9-5-4-6-10-15)25(24-17)16-11-7-8-14(21)12-16/h4-13H,21H2,1-3H3,(H2,22,23,26) | | Synonyms: | 1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-phenyl-urea | | Definition date: | 2008-11-05 | | Last modified: | 2020-06-17 | | Identifier: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea |
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 | | GGD | | Name: | NONADEC-10-ENOIC ACID
2-[3,4-DIHYDROXY-6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY]
-1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER | | Formula: | C52 H94 O15 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCC/C=C/CCCCCCCC)COC2OC(CO)C(O)C(OC1OC(C(O)C(O)C1O)CO)C2O)CCCCCCC/C=C/CCCCCCCC | | InChi: | InChI=1S/C52H94O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(56)64-40(38-62-43(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-63-51-49(61)50(46(58)42(37-54)65-51)67-52-48(60)47(59)45(57)41(36-53)66-52/h17-20,40-42,45-54,57-61H,3-16,21-39H2,1-2H3/b19-17+,20-18+/t40?,41-,42-,45-,46+,47+,48-,49-,50+,51-,52+/m1/s1 | | Synonyms: | GLUCOSYL-GALACTOSYL DIACYL-GLYCEROL | | Definition date: | 2002-07-25 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-2-[(3-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-1-{[(9E)-octadec-9-enoyloxy]methyl}ethyl (10E)-nonadec-10-enoate |
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