 | | 6AP | | Name: | 9H-PURINE-2,6-DIAMINE | | Formula: | C5 H6 N6 | | SMILES: | n1c(c2ncnc2nc1N)N | | InChi: | InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11) | | Synonyms: | 2,6-DIAMINOPURINE | | Definition date: | 2005-10-10 | | Last modified: | 2020-06-17 | | Identifier: | 9H-purine-2,6-diamine |
|
 | | RBT | | Name: | RIFABUTIN | | Formula: | C46 H62 N4 O11 | | SMILES: | O=C4c5c2C1=NC6(NC1=C3C(=O)c2c(O)c(c5OC4(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N3)C)C)C)C)C)CCN(CC(C)C)CC6 | | InChi: | InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 | | Synonyms: | (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6-16,18,20- TETRAHYDROXY-1'-ISOBUTYL-14-METHOXY-7,9,15,17,19,21,25-
HEPTAMETHYLSPIRO(9,4-(EPOXYPENTADECA(1,11,13)TRIENIMINO)-2H- FURO(2',3':7,8)NAPHTH(1,2-D)IMIDAZOLE-2,4'-PIPERIDINE)-
5,10,26(3H,9H)-TRIONE,16-ACETATE | | Definition date: | 2005-07-19 | | Last modified: | 2020-06-17 | | Identifier: | (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate |
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 | | RBV | | Name: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide | | Formula: | C8 H12 N4 O5 | | SMILES: | O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1 | | Synonyms: | Ribavirin | | Definition date: | 2011-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide |
|
 | | 6B5 | | Name: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-chromen-4-one | | Formula: | C16 H12 O6 | | SMILES: | c3cc(C=1Oc2c(C(=O)C=1)c(cc(c2)OC)O)cc(c3O)O | | InChi: | InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)8-2-3-10(17)11(18)4-8/h2-7,17-19H,1H3 | | Synonyms: | 7,8-DIMETHYLALLOXAZINE | | Definition date: | 2016-03-01 | | Last modified: | 2020-06-17 | | Release date: | 2016-04-20 | | Identifier: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one |
|
 | | 6BD | | Name: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid | | Formula: | C17 H15 N O3 | | SMILES: | O=C(O)C(C)CON=C3/c1ccccc1c2c3cccc2 | | InChi: | InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1 | | Synonyms: | (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid | | Definition date: | 2009-04-06 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid |
|
 | | RCA | | Name: | 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C12 H16 N4 O5 | | SMILES: | O=C1NC(CO)C(C(=O)N1)(C)CC2=C(C(=O)NC(=O)N2)C | | InChi: | InChI=1S/C12H16N4O5/c1-5-6(13-10(20)15-8(5)18)3-12(2)7(4-17)14-11(21)16-9(12)19/h7,17H,3-4H2,1-2H3,(H2,13,15,18,20)(H2,14,16,19,21)/t7-,12+/m0/s1 | | Synonyms: | HYDROXYMETHYL-HYDROTHYMYL-THYMINE | | Definition date: | 2000-05-24 | | Last modified: | 2020-06-17 | | Identifier: | 6-{[(4R,5R)-4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | RCO | | Name: | RESORCINOL | | Formula: | C6 H6 O2 | | SMILES: | Oc1cccc(O)c1 | | InChi: | InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H | | Synonyms: | 1,3-BENZENEDIOL | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | benzene-1,3-diol |
|
 | | 6CE | | Name: | 5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine | | Formula: | C20 H24 N7 O6 P S | | SMILES: | C3(C(C(CSP(NCCc2c1ccccc1nc2)(=O)O)OC3n4cnc5c4NC(=NC5=O)N)O)O | | InChi: | InChI=1S/C20H24N7O6PS/c21-20-25-17-14(18(30)26-20)23-9-27(17)19-16(29)15(28)13(33-19)8-35-34(31,32)24-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,28-29H,5-6,8H2,(H2,24,31,32)(H3,21,25,26,30)/t13-,15-,16-,19-/m1/s1 | | Synonyms: | TrpGMPS | | Definition date: | 2016-03-10 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-15 | | Identifier: | 5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine |
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 | | RDC | | Name: | RADICICOL | | Formula: | C18 H17 Cl O6 | | SMILES: | O=C2C=CC=CC3OC3CC(OC(=O)c1c(O)cc(O)c(Cl)c1C2)C | | InChi: | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1 | | Synonyms: | MONORDEN | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-methyl-1a,14,15,15a-tetrahydro-6H-oxireno[e][2]benzoxacyclotetradecine-6,12(7H)-dione |
|
 | | 6CU | | Name: | (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole | | Formula: | C21 H26 N2 | | SMILES: | CCC4(CCC1C(c3c(C1(C)C)nc2c3cccc2)C4[N+]#[C-])C | | InChi: | InChI=1S/C21H26N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h7-10,14,17,19,23H,6,11-12H2,1-4H3/t14-,17-,19+,21+/m0/s1 | | Synonyms: | 12-epi-fischerindole U | | Definition date: | 2016-03-14 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-29 | | Identifier: | (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole |
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 | | 6D7 | | Name: | (R)-orteronel | | Formula: | C18 H17 N3 O2 | | SMILES: | C3(c1cc2c(cc1)cc(C(NC)=O)cc2)(CCn4cncc34)O | | InChi: | InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m1/s1 | | Synonyms: | 6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide | | Definition date: | 2016-03-16 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-15 | | Identifier: | 6-[(7R)-7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide |
|
 | | M51 | | Name: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone | | Formula: | C22 H30 N6 O S | | SMILES: | O=C(N1CCSC1)C5NCC(N4CCN(c3cc(nn3c2ccccc2)C)CC4)C5 | | InChi: | InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1 | | Synonyms: | Teneligliptin | | Definition date: | 2011-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-19 | | Identifier: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone |
|
 | | 6ET | | Name: | capsazepine | | Formula: | C19 H21 Cl N2 O2 S | | SMILES: | c12cc(c(O)cc1CCCN(C2)C(=S)NCCc3ccc(cc3)Cl)O | | InChi: | InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25) | | Synonyms: | N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide | | Definition date: | 2016-03-23 | | Last modified: | 2020-06-17 | | Release date: | 2016-05-25 | | Identifier: | N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide |
|
 | | 2G6 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic
acid | | Formula: | C21 H36 N3 O5 P | | SMILES: | O=C(NCCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t18-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide |
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 | | 2G8 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid | | Formula: | C18 H30 N3 O5 P | | SMILES: | O=C(NCCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/t16-/m0/s1 | | Synonyms: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide |
|
 | | 2G9 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((S)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic
acid | | Formula: | C20 H34 N3 O5 P | | SMILES: | O=C(NCC(C)CC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide |
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 | | 2GZ | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid | | Formula: | C20 H34 N3 O5 P | | SMILES: | O=C(NCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C20H34N3O5P/c1-15(2)11-17(18(24)21-13-20(3,4)5)23-29(26,27)14-22-19(25)28-12-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide | | Definition date: | 2013-10-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide |
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 | | M8F | | Name: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine | | Formula: | C14 H25 N3 O6 S2 | | SMILES: | O=C(NC(C(=O)O)CCSC)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H25N3O6S2/c1-25-6-5-9(14(22)23)17-12(19)10(7-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9+,10-/m0/s1 | | Synonyms: | L-D-(A-aminoadipoyl)-L-cysteinyl-D-methionine | | Definition date: | 2011-01-19 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-methionine |
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 | | 2H3 | | Name: | (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6- | | Synonyms: | scyllo-inositol | | Definition date: | 2013-10-18 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-15 | | Identifier: | (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol |
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 | | 2HB | | Name: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide | | Formula: | C21 H23 N5 O3 S | | SMILES: | O=S5(=O)CCN(Cc4ccc(c2cccc1nc(nn12)NC(=O)C3CC3)cc4)CC5 | | InChi: | InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | | Synonyms: | G146034 | | Definition date: | 2014-03-28 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide |
|
 | | 2HC | | Name: | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | | Formula: | C9 H8 O3 | | SMILES: | O=C(O)/C=C/c1ccccc1O | | InChi: | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ | | Synonyms: | TRANS-2-HYDROXYCINNAMIC ACID | | Definition date: | 2003-12-22 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
|
 | | 2HN | | Name: | (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid | | Formula: | C14 H11 F5 O6 | | SMILES: | O=C1C(C(O)(C(=O)O)CC(O)C1O)Cc2c(F)c(F)c(F)c(F)c2F | | InChi: | InChI=1S/C14H11F5O6/c15-6-3(7(16)9(18)10(19)8(6)17)1-4-11(21)12(22)5(20)2-14(4,25)13(23)24/h4-5,12,20,22,25H,1-2H2,(H,23,24)/t4-,5-,12+,14-/m1/s1 | | Synonyms: | (1R,2S,4S,5R)-2-(perfluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid | | Definition date: | 2012-08-14 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (1R,2S,4S,5R)-1,4,5-trihydroxy-3-oxo-2-(pentafluorobenzyl)cyclohexanecarboxylic acid |
|
 | | M98 | | Name: | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHY
L)PYRIDINE 1-OXIDE | | Formula: | C23 H18 F8 N2 O4 S | | SMILES: | FC(F)Oc2ccc(cc2OC1CC1)C(c3ncc(s3)C(O)(C(F)(F)F)C(F)(F)F)Cc4c[n+]([O-])ccc4 | | InChi: | InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)19-32-10-18(38-19)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m0/s1 | | Synonyms: | 2-{2-[(1S)-1-[3-(CYCLOPROPYLOXY)-4-(DIFLUOROMETHOXY)PHENYL]-2-(1-OXIDOPYRIDIN-3-YL)ETHYL]-1,3-THIAZOL-5-YL}-1,1,1,3,3,3
-HEXAFLUOROPROPAN-2-OL | | Definition date: | 2006-01-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-{2-[(1S)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-3-yl)ethyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
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 | | MA5 | | Name: | 2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PY
RAN-3,4,5-TRIOL | | Formula: | C20 H36 O11 | | SMILES: | O(CCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C20H36O11/c21-8-11-13(23)14(24)16(26)20(29-11)31-18-12(9-22)30-19(17(27)15(18)25)28-7-6-10-4-2-1-3-5-10/h10-27H,1-9H2/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1 | | Synonyms: | CYCLOHEXYLETHYL-BETA-D-MALTOSIDE | | Definition date: | 2005-10-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-cyclohexylethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | MAR | | Name: | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | | Formula: | C33 H39 N O13 | | SMILES: | O=C2c1c(O)c6c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC6OC5OC(C(OC4OC(C(O)C(O)C4)C)C(N)C5)C | | InChi: | InChI=1S/C33H39NO13/c1-12-27(37)18(36)9-22(44-12)47-32-13(2)45-21(8-17(32)34)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27-,32+,33-/m0/s1 | | Synonyms: | MAR70 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-arabino-hexopyranosyl)-alpha-L-lyxo-hexopyranoside |
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