 | | SFX | | Name: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | | Formula: | C17 H18 F3 N O | | SMILES: | FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2 | | InChi: | InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1 | | Synonyms: | Fluoxetine | | Definition date: | 2009-04-03 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine |
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 | | SGS | | Name: | (E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL
3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE | | Formula: | C17 H22 O10 | | SMILES: | O=C(OC1OC(C(O)C(O)C1O)CO)C=Cc2cc(OC)c(O)c(OC)c2 | | InChi: | InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1 | | Synonyms: | 1-O-SINAPOYL-BETA-D-GLUCOSE | | Definition date: | 2006-06-13 | | Last modified: | 2020-06-17 | | Identifier: | 1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranose |
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 | | SGV | | Name: | SANGIVAMYCIN | | Formula: | C12 H15 N5 O5 | | SMILES: | O=C(c2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N)N | | InChi: | InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1 | | Synonyms: | 4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide | | Definition date: | 2010-07-27 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
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 | | SH4 | | Name: | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE | | Formula: | C17 H19 N O4 P | | SMILES: | O=C(Nc1ccc(cc1)CP([O-])(=O)OC(c2ccccc2)C)C | | InChi: | InChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1 | | Synonyms: | (1S)-1PHENYLETHYL [4-(ACETYLAMINO) BENZYL] PHOSPHATE | | Definition date: | 2003-09-29 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-phenylethyl [4-(acetylamino)benzyl]phosphonate |
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 | | SHM | | Name: | HOMOBIOTIN | | Formula: | C11 H18 N2 O3 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCCC(=O)O | | InChi: | InChI=1S/C11H18N2O3S/c14-9(15)5-3-1-2-4-8-10-7(6-17-8)12-11(16)13-10/h7-8,10H,1-6H2,(H,14,15)(H2,12,13,16)/t7-,8-,10-/m0/s1 | | Synonyms: | 6-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-HEXANOIC ACID | | Definition date: | 2002-04-10 | | Last modified: | 2020-06-17 | | Identifier: | 6-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]hexanoic acid |
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 | | SIM | | Name: | Simvastatin acid | | Formula: | C25 H40 O6 | | SMILES: | O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(OC(=O)C(C)(C)CC)C12)C)C | | InChi: | InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1 | | Synonyms: | DIMETHYL-COMPACTIN | | Definition date: | 2001-01-16 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl}-3,5-dihydroxyheptanoic acid |
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 | | SK8 | | Name: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole | | Formula: | C16 H12 F N3 S | | SMILES: | Fc4ccc(c1nc3SCCn3c1c2ccncc2)cc4 | | InChi: | InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2 | | Synonyms: | SKF-86002 | | Definition date: | 2013-07-30 | | Last modified: | 2020-06-17 | | Release date: | 2014-02-12 | | Identifier: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole |
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 | | SKD | | Name: | 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID | | Formula: | C11 H17 N O8 | | SMILES: | O=C(NC1C(O)CC2(OC1C(O2)C(O)CO)C(=O)O)C | | InChi: | InChI=1S/C11H17NO8/c1-4(14)12-7-5(15)2-11(10(17)18)19-8(6(16)3-13)9(7)20-11/h5-9,13,15-16H,2-3H2,1H3,(H,12,14)(H,17,18)/t5-,6+,7+,8+,9+,11+/m0/s1 | | Synonyms: | 2,7-ANHYDRO-NEU5AC | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,5S,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred name) |
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 | | 7JG | | Name: | 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C20 H12 F2 N2 O2 | | SMILES: | Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14 | | InChi: | InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26) | | Synonyms: | 5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7JJ | | Name: | 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C14 H8 Cl F N2 O2 | | SMILES: | Oc1cc(c(Cl)c2C(=O)NC=Nc12)c3ccc(F)cc3 | | InChi: | InChI=1S/C14H8ClFN2O2/c15-12-9(7-1-3-8(16)4-2-7)5-10(19)13-11(12)14(20)18-6-17-13/h1-6,19H,(H,17,18,20) | | Synonyms: | 5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | SKZ | | Name: | [2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1-
(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron | | Formula: | C16 H22 Fe N4 O9 | | SMILES: | O=C3O[Fe]5124O/C(=C)N(O1)CCCNC(=O)CC3(O2)CC(=O)NCCCN(O4)C(O5)=C | | InChi: | InChI=1S/C16H25N4O9.Fe/c1-11(21)19(28)7-3-5-17-13(23)9-16(27,15(25)26)10-14(24)18-6-4-8-20(29)12(2)22 | | Synonyms: | Schizokinen | | Definition date: | 2011-09-17 | | Last modified: | 2020-06-17 | | Release date: | 2012-08-31 | | Identifier: | [2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron |
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 | | 7JK | | Name: | 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C19 H20 N4 O3 S | | SMILES: | CN1CCN(CC1)C(=O)c2sc(c(C)c2)c3cc(O)c4N=CNC(=O)c4c3 | | InChi: | InChI=1S/C19H20N4O3S/c1-11-7-15(19(26)23-5-3-22(2)4-6-23)27-17(11)12-8-13-16(14(24)9-12)20-10-21-18(13)25/h7-10,24H,3-6H2,1-2H3,(H,20,21,25) | | Synonyms: | 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7JL | | Name: | 6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C8 H5 Br N2 O2 | | SMILES: | Oc1cc(Br)cc2C(=O)NC=Nc12 | | InChi: | InChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)10-3-11-8(5)13/h1-3,12H,(H,10,11,13) | | Synonyms: | 6-bromo-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7JP | | Name: | 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one | | Formula: | C26 H23 F N4 O2 | | SMILES: | Oc1cc(cc2C(=O)N(CCCCCn3ccc4cnccc34)C=Nc12)c5ccc(F)cc5 | | InChi: | InChI=1S/C26H23FN4O2/c27-21-6-4-18(5-7-21)20-14-22-25(24(32)15-20)29-17-31(26(22)33)12-3-1-2-11-30-13-9-19-16-28-10-8-23(19)30/h4-10,13-17,32H,1-3,11-12H2 | | Synonyms: | 6-(4-fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one |
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 | | 7JR | | Name: | 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one | | Formula: | C12 H11 N O2 | | SMILES: | CN1C=C(C=C(O)C1=O)c2ccccc2 | | InChi: | InChI=1S/C12H11NO2/c1-13-8-10(7-11(14)12(13)15)9-5-3-2-4-6-9/h2-8,14H,1H3 | | Synonyms: | 3-hydroxy-1-methyl-5-phenylpyridin-2-one | | Definition date: | 2016-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-11-22 | | Identifier: | 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one |
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 | | PSF | | Name: | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE | | Formula: | C18 H34 N O10 P | | SMILES: | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC | | InChi: | InChI=1S/C18H34NO10P/c1-3-5-7-9-16(20)26-11-14(29-17(21)10-8-6-4-2)12-27-30(24,25)28-13-15(19)18(22)23/h14-15H,3-13,19H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m1/s1 | | Synonyms: | PHOSPHATIDYLSERINE | | Definition date: | 2000-01-12 | | Last modified: | 2020-06-17 | | Identifier: | O-[(S)-{[(2R)-2,3-bis(hexanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine |
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 | | PSM | | Name: | N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE | | Formula: | C20 H33 N5 O5 S2 | | SMILES: | O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCSC)C(O)C)CCC | | InChi: | InChI=1S/C20H33N5O5S2/c1-4-11-32(29,30)25-17(13(2)26)20(28)24-16(9-10-31-3)19(27)23-12-14-5-7-15(8-6-14)18(21)22/h5-8,13,16-17,25-26H,4,9-12H2,1-3H3,(H3,21,22)(H,23,27)(H,24,28)/t13-,16-,17+/m0/s1 | | Synonyms: | N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID | | Definition date: | 2004-10-14 | | Last modified: | 2020-06-17 | | Identifier: | N-(propylsulfonyl)-D-threonyl-N-(4-carbamimidoylbenzyl)-L-methioninamide |
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 | | 7KP | | Name: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4
,5-triol | | Formula: | C20 H22 O8 | | SMILES: | OC[CH]1O[CH](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20+/m1/s1 | | Synonyms: | glycosylated resveratrol | | Definition date: | 2016-11-05 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-20 | | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4,5-triol |
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 | | PT5 | | Name: | [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho
ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | | Formula: | C47 H85 O19 P3 | | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC | | InChi: | InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17?,24-22-,30-28?/t39-,42-,43+,44+,45-,46-,47-/m1/s1 | | Synonyms: | Phosphatidylinositol 4,5-bisphosphate | | Definition date: | 2009-04-22 | | Last modified: | 2020-06-17 | | Identifier: | [(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (8~{Z})-icosa-5,8,11,14-tetraenoate |
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 | | 7LB | | Name: | (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine | | Formula: | C17 H20 N2 O | | SMILES: | CNC(C[C@H]=Cc1cncc(c1)Oc2ccccc2)C | | InChi: | InChI=1S/C17H20N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h3-6,8-14,18H,7H2,1-2H3/b8-6+/t14-/m0/s1 | | Synonyms: | (2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine | | Definition date: | 2016-11-09 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-30 | | Identifier: | (2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine |
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 | | PTQ | | Name: | 2-phenylethyl 1-thio-beta-D-galactopyranoside | | Formula: | C14 H20 O5 S | | SMILES: | S(CCc1ccccc1)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C14H20O5S/c15-8-10-11(16)12(17)13(18)14(19-10)20-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11+,12+,13-,14+/m1/s1 | | Synonyms: | 2-Phenylethyl beta-D-thiogalactoside, PETG | | Definition date: | 2010-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 2-phenylethyl 1-thio-beta-D-galactopyranoside |
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 | | PTU | | Name: | 2-ETHYL-1-PHENYL-ISOTHIOUREA | | Formula: | C9 H12 N2 S | | SMILES: | S(C(=N/c1ccccc1)N)CC | | InChi: | InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11) | | Synonyms: | S-ETHYL-N-PHENYL-ISOTHIOUREA | | Definition date: | 1999-09-22 | | Last modified: | 2020-06-17 | | Identifier: | ethyl N'-phenylimidothiocarbamate |
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 | | PTW | | Name: | 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane | | Formula: | C6 H12 N3 P | | SMILES: | N13CN2CN(CP(C1)C2)C3 | | InChi: | InChI=1S/C6H12N3P/c1-7-2-9-3-8(1)5-10(4-7)6-9/h1-6H2 | | Synonyms: | 1,3,5-Triaza-7-phosphaadamantane | | Definition date: | 2010-05-06 | | Last modified: | 2020-06-17 | | Identifier: | 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane |
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 | | PUC | | Name: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid | | Formula: | C21 H34 O4 | | SMILES: | CCCCC[CH](O)C=C[CH]1[CH]2C[CH](CO2)[CH]1CC=CCCCC(O)=O | | InChi: | InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1 | | Synonyms: | 15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid | | Definition date: | 2010-02-04 | | Last modified: | 2020-06-17 | | Identifier: | (Z)-7-[(1S,4R,5R,6S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid |
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 | | PUL | | Name: | (1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX
ACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE | | Formula: | C47 H66 O13 | | SMILES: | O=C1C(=CC=CC(=CC(O)C(=CCC(=O)OC(CC=CC=CC=CC1O)C(C)C(O)C(C(=O)C=CC=CC=CC(O)C(OC2OC(C(OC)C(O)C2OC)C)C)C)C)C)C | | InChi: | InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26+,31-21+/t32-,33-,34+,35-,37+,38+,39-,40+,43-,44+,45+,46-,47-/m1/s1 | | Synonyms: | PULVOMYCIN | | Definition date: | 2005-11-18 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2S,4E,6E,8E,10S,12E,14E,16E,18R,19E)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxooxacyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-O-methyl-beta-D-galactopyranoside |
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