 | | F5X | | Name: | 2-(6-methoxy-1H-indol-3-yl)ethanamine | | Formula: | C11 H14 N2 O | | SMILES: | COc1ccc2c(CCN)c[nH]c2c1 | | InChi: | InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3 | | Synonyms: | 6-Methoxytryptamine | | Definition date: | 2020-04-01 | | Last modified: | 2021-03-01 | | Release date: | 2020-08-26 | | Identifier: | 2-(6-methoxy-1~{H}-indol-3-yl)ethanamine |
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 | | F77 | | Name: | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID | | Formula: | C16 H16 F N O4 S | | SMILES: | O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2 | | InChi: | InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20) | | Synonyms: | 3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID | | Definition date: | 2007-02-06 | | Last modified: | 2021-03-01 | | Identifier: | 3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid |
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 | | F89 | | Name: | S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID | | Formula: | C27 H24 N4 O6 | | SMILES: | O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O | | InChi: | InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1 | | Synonyms: | FOLATE ANALOG 1843U89 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-(5-{[(3-methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid |
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 | | F8M | | Name: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid | | Formula: | C18 H19 N3 O4 | | SMILES: | CN(C)CCCc3ccc1c(C(c2c(O1)nc(c(c2)C(O)=O)N)=O)c3 | | InChi: | InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24) | | Synonyms: | 7-[3-(dimethylamino)propyl] Analog of Amlexanox | | Definition date: | 2018-03-15 | | Last modified: | 2021-03-01 | | Release date: | 2018-12-05 | | Identifier: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid |
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 | | FBD | | Name: | N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid | | Formula: | C16 H19 F N2 O7 S | | SMILES: | Fc1ccc(cc1)CSCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1 | | Synonyms: | (S)-2-(3-((R)-1-carboxy-2-(4-fluorobenzylthio)ethyl)ureido)pentanedioic acid | | Definition date: | 2008-06-05 | | Last modified: | 2021-03-01 | | Identifier: | N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid |
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 | | FBI | | Name: | 7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID | | Formula: | C22 H30 F N3 O6 S | | SMILES: | O=S(=O)(N(c1nc(c(c(n1)C(C)C)CCC(O)CC(O)CC(=O)O)c2ccc(F)cc2)C)C | | InChi: | InChI=1S/C22H30FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-8,13,16-17,27-28H,9-12H2,1-4H3,(H,29,30)/t16-,17-/m1/s1 | | Synonyms: | ROSUVASTATIN | | Definition date: | 2001-01-17 | | Last modified: | 2021-03-01 | | Identifier: | (3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid |
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 | | FCC | | Name: | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one | | Formula: | C26 H21 N3 O | | SMILES: | O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5 | | InChi: | InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2 | | Synonyms: | Linopirdine | | Definition date: | 2020-04-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-12-02 | | Identifier: | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one |
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 | | FD5 | | Name: | [5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | | Formula: | C42 H54 N9 O21 P S4 | | SMILES: | Cc1cc2N=C3C(=O)N(OCC[S](O)(O)c4ccc(NNc5c(N)c6c(O)c(NNc7ccc(cc7)[S](C)(O)O)c(cc6cc5[S](O)(O)O)[S](O)(O)O)cc4)C(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | | InChi: | InChI=1S/C42H45N9O21PS4/c1-20-14-27-28(15-21(20)2)50(18-29(52)38(54)30(53)19-72-73(58,59)60)40-37(44-27)41(56)51(42(57)45-40)71-12-13-75(63,64)26-10-6-24(7-11-26)46-48-35-31(76(65,66)67)16-22-17-32(77(68,69)70)36(39(55)33(22)34(35)43)49-47-23-4-8-25(9-5-23)74(3,61)62/h4-12,16-17,46-49,55,61-70H,13,18-19,43H2,1-3H3,(H2,58,59,60)/q-1/p-2 | | Synonyms: | FAD DERIVATIVE | | Definition date: | 2013-08-12 | | Last modified: | 2021-03-01 | | Release date: | 2013-10-30 | | Identifier: | [5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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 | | FD6 | | Name: | N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine | | Formula: | C19 H23 Cl N4 S | | SMILES: | CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24 | | InChi: | InChI=1S/C19H23ClN4S/c1-22-10-12-23(13-11-22)21-8-9-24-16-4-2-3-5-18(16)25-19-7-6-15(20)14-17(19)24/h2-7,14,21H,8-13H2,1H3 | | Synonyms: | FD16 | | Definition date: | 2016-03-10 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-25 | | Identifier: | N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine |
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 | | FDU | | Name: | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione | | Formula: | C11 H11 F N2 O5 | | SMILES: | O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2F)CO | | InChi: | InChI=1S/C11H11FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h1,3,6-8,10,15-16H,4H2,(H,13,17,18)/t6-,7+,8-,10-/m1/s1 | | Synonyms: | (2'S)-2'-DEOXY-2'-FLUORO-5-ETHYNYLURIDINE | | Definition date: | 2014-02-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-08-13 | | Identifier: | 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione |
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 | | FEX | | Name: | METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE | | Formula: | C32 H38 N2 O3 | | SMILES: | O=C(N(c1cccc(c1)CCC(=O)OC)Cc3ccc(c2ccc(N(C)C)cc2)cc3)C4CCCCC4 | | InChi: | InChI=1S/C32H38N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-13,15-20,22,28H,4-6,9-10,14,21,23H2,1-3H3 | | Synonyms: | FEXARAMINE | | Definition date: | 2003-03-20 | | Last modified: | 2021-03-01 | | Identifier: | methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}propanoate |
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 | | FFA | | Name: | (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE | | Formula: | C19 H28 O2 | | SMILES: | O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4 | | InChi: | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1 | | Synonyms: | EPI-TESTOSTERONE | | Definition date: | 2006-10-16 | | Last modified: | 2021-03-01 | | Identifier: | (10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one |
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 | | FFT | | Name: | (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate | | Formula: | C15 H27 O4 P | | SMILES: | O=P(OCC=C(/CC/C=C(/C)CCC=C(/C)C)C)(O)O | | InChi: | InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11- | | Synonyms: | farnesyl monophosphate | | Definition date: | 2011-11-03 | | Last modified: | 2021-03-01 | | Identifier: | (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate |
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 | | FGT | | Name: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one | | Formula: | C20 H14 O4 | | SMILES: | Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4 | | InChi: | InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H | | Synonyms: | phenolphthalein | | Definition date: | 2018-06-30 | | Last modified: | 2021-03-01 | | Release date: | 2019-06-05 | | Identifier: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one |
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 | | FIH | | Name: | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID | | Formula: | C18 H14 F N O4 S2 | | SMILES: | O=C(O)c2sc(cc2NS(=O)(=O)c1ccc(cc1)C)c3ccc(F)cc3 | | InChi: | InChI=1S/C18H14FNO4S2/c1-11-2-8-14(9-3-11)26(23,24)20-15-10-16(25-17(15)18(21)22)12-4-6-13(19)7-5-12/h2-10,20H,1H3,(H,21,22) | | Synonyms: | 5-(4-FLUOROPHENYL)-3-(TOSYLAMINO)THIOPHENE-2-CARBOXYLIC ACI | | Definition date: | 2005-10-06 | | Last modified: | 2021-03-01 | | Identifier: | 5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid |
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 | | FII | | Name: | [(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID | | Formula: | C17 H30 N O5 P | | SMILES: | O=C(NOCC=C(/C)CCC=C(/C)CCC=C(/C)C)CP(=O)(O)O | | InChi: | InChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+ | | Synonyms: | FPP ANALOG | | Definition date: | 1999-10-27 | | Last modified: | 2021-03-01 | | Identifier: | [2-oxo-2-({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}amino)ethyl]phosphonic acid |
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 | | FIR | | Name: | (2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE | | Formula: | C12 H10 F N3 O4 | | SMILES: | Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3 | | InChi: | InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1 | | Synonyms: | FIDARESTAT(STEREOISOMER) | | Definition date: | 2004-08-24 | | Last modified: | 2021-03-01 | | Identifier: | (2R,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide |
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 | | FIS | | Name: | (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE | | Formula: | C12 H10 F N3 O4 | | SMILES: | Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3 | | InChi: | InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m0/s1 | | Synonyms: | FIDARESTAT(STEREOISOMER) | | Definition date: | 2004-08-24 | | Last modified: | 2021-03-01 | | Identifier: | (2S,4R)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide |
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 | | FIT | | Name: | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | | Formula: | C23 H36 N2 O2 | | SMILES: | O=C(NC(C)(C)C)C2C1(CCC3C(C1CC2)CCC4NC(=O)C=CC34C)C | | InChi: | InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1 | | Synonyms: | FINASTERIDE | | Definition date: | 2009-02-11 | | Last modified: | 2021-03-01 | | Identifier: | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide |
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 | | 0UT | | Name: | hydroxy(diphenyl)acetic acid | | Formula: | C14 H12 O3 | | SMILES: | O=C(O)C(O)(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | | Synonyms: | Benzillic acid | | Definition date: | 2012-06-22 | | Last modified: | 2021-03-01 | | Release date: | 2013-10-30 | | Identifier: | hydroxy(diphenyl)acetic acid |
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 | | FJR | | Name: | 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide | | Formula: | C17 H14 N2 O3 | | SMILES: | Cc1ccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)cc1 | | InChi: | InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)/b18-16- | | Synonyms: | 8-hydroxy-2-imino-N-(p-tolyl)-2H-chromene-3-carboxamide | | Definition date: | 2020-05-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-23 | | Identifier: | 2-azanylidene-~{N}-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide |
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 | | FJU | | Name: | 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide | | Formula: | C18 H16 N2 O3 | | SMILES: | CCc1cccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)c1 | | InChi: | InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)/b19-17- | | Synonyms: | N-(3-ethylphenyl)-8-hydroxy-2-imino-2H-chromene-3-carboxamide | | Definition date: | 2020-05-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-23 | | Identifier: | 2-azanylidene-~{N}-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide |
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 | | 0V4 | | Name: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside | | Formula: | C27 H44 O8 | | SMILES: | O(C3C1=C(C(C)C)CCC1(C=C2C(COC)CCC2C(C3O)C)C)C4OC(C(O)C(O)C4O)CO | | InChi: | InChI=1S/C27H44O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h10,13-15,17,19,21-26,28-32H,6-9,11-12H2,1-5H3/b18-10-/t14-,15-,17+,19-,21-,22-,23+,24-,25-,26-,27-/m1/s1 | | Synonyms: | 16-O-Me-Fusicoccin H | | Definition date: | 2012-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-08 | | Identifier: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside |
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 | | FK5 | | Name: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | | Formula: | C44 H69 N O12 | | SMILES: | O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C4OC3(O)C(C)CC4OC)C)C)CC=C | | InChi: | InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 | | Synonyms: | K506 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone |
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 | | 0W3 | | Name: | (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid | | Formula: | C41 H72 O9 | | SMILES: | O=C(O)CCC(C)CC(C)CC(C(=O)CC(=O)C(C)CC(C)C/C=CC(C)C(O)C(C)C(O)CC2OC(C1OC(CC1)(C(O)C)C)(C)CC2)C | | InChi: | InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,25-33,36-37,39,42,45,48H,12,14-24H2,1-10H3,(H,46,47)/b13-11-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1 | | Synonyms: | Ionomycin | | Definition date: | 2012-07-17 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-20 | | Identifier: | (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid |
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