 | | 233 | | Name: | [5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-PENTYL]-CARBAMIC ACID METHYL ESTER | | Formula: | C14 H26 N2 O8 | | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)CCCCCNC(=O)OC | | InChi: | InChI=1S/C14H26N2O8/c1-23-14(22)15-6-4-2-3-5-9(18)16-13-12(21)11(20)10(19)8(7-17)24-13/h8,10-13,17,19-21H,2-7H2,1H3,(H,15,22)(H,16,18)/t8-,10+,11+,12-,13-/m1/s1 | | Synonyms: | BMSC-0013 | | Definition date: | 2002-08-13 | | Last modified: | 2020-06-17 | | Identifier: | N-{6-[(methoxycarbonyl)amino]hexanoyl}-beta-D-galactopyranosylamine |
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 | | 3OG | | Name: | (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate | | Formula: | C18 H32 O4 | | SMILES: | O=C1OC(C(OC(=O)C)CCCCCCCCCC)CCC1 | | InChi: | InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3/t16-,17+/m0/s1 | | Synonyms: | (5R,6S)-6-acetoy-5-hexadecanolide | | Definition date: | 2010-08-24 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate |
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 | | LOR | | Name: | LORACABEF (Open form) | | Formula: | C16 H18 Cl N3 O4 | | SMILES: | O=C(O)C2=NC(C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl | | InChi: | InChI=1S/C16H18ClN3O4/c17-10-6-7-11(19-14(10)16(23)24)12(8-21)20-15(22)13(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7,18H2,(H,20,22)(H,23,24)/t10-,11+,12+,13+/m0/s1 | | Synonyms: | (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic
acid | | Definition date: | 2000-08-11 | | Last modified: | 2020-06-17 | | Identifier: | (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid |
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 | | 3X9 | | Name: | 3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine | | Formula: | C12 H22 N2 O3 S2 | | SMILES: | O=C(O)C(N)CSSCC1=CC(N(O)C1(C)C)(C)C | | InChi: | InChI=1S/C12H22N2O3S2/c1-11(2)5-8(12(3,4)14(11)17)6-18-19-7-9(13)10(15)16/h5,9,17H,6-7,13H2,1-4H3,(H,15,16)/t9-/m0/s1 | | Synonyms: | CYS with MTSL | | Definition date: | 2014-12-04 | | Last modified: | 2020-06-17 | | Release date: | 2015-03-25 | | Identifier: | 3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}-L-alanine |
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 | | 3XU | | Name: | (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-
23-en-1-aminium 4-oxide | | Formula: | C47 H94 N2 O6 P | | SMILES: | O=P(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b21-20-,40-38-/t45-,46-/m0/s1 | | Synonyms: | N_nervonoyl_D_erythro_sphingosylphosphorylcholine | | Definition date: | 2014-12-08 | | Last modified: | 2020-06-17 | | Release date: | 2015-02-04 | | Identifier: | (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium 4-oxide |
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 | | 3YI | | Name: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam
ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate | | Formula: | C38 H47 N O13 | | SMILES: | c1(c4c(O)c(c3OC2(OC=CC(OC)C(C(OC(=O)C)C(C(O)C(C(O)C(C=CC=C(C(Nc1c(c(O)c4c3C2=O)C=O)=O)C)C)C)C)C)C)C)O | | InChi: | InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1 | | Synonyms: | 3-formyl rifamycin SV | | Definition date: | 2017-10-26 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-18 | | Identifier: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate |
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 | | 3YN | | Name: | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl
(2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate | | Formula: | C16 H24 N2 O14 P2 | | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3)C)O)O)C | | InChi: | InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-13,19-20H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,10-,11-,12-,13-/m1/s1 | | Synonyms: | TDP-4-keto-D-olivose | | Definition date: | 2014-12-10 | | Last modified: | 2020-06-17 | | Release date: | 2015-01-28 | | Identifier: | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,4R,6R)-4-hydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | I8P | | Name: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] | | Formula: | C6 H20 O30 P8 | | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O | | InChi: | InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1 | | Synonyms: | 1D-myo-inositol 1,5-bisdiphosphate 2,3,4,6-tetrakisphosphate | | Definition date: | 2011-08-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] |
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 | | IDN | | Name: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE | | Formula: | C22 H22 N4 O2 | | SMILES: | O=C2Nc1ncc(cc1CC2)C=CC(=O)N(C)Cc4c3ccccc3n(c4)C | | InChi: | InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+ | | Synonyms: | INDOLE NAPHTHYRIDINONE | | Definition date: | 2002-08-28 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide |
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 | | L24 | | Name: | [[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID | | Formula: | C21 H25 N5 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)CCC3Cc2c(nc(nc2NC3)N)O)CCC(=O)O | | InChi: | InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15-/m0/s1 | | Synonyms: | LY249543 | | Definition date: | 1999-12-14 | | Last modified: | 2020-06-17 | | Identifier: | N-[(4-{2-[(6S)-2-amino-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)carbonyl]-L-glutamic acid |
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 | | L27 | | Name: | {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2-
HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | Formula: | C35 H37 N3 O6 | | SMILES: | O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6 | | InChi: | InChI=1S/C35H37N3O6/c39-31(30(17-23-9-3-1-4-10-23)38-34(42)44-25-15-16-43-22-25)19-35(18-24-11-5-2-6-12-24)32(40)29(21-37-35)28-20-36-33(41)27-14-8-7-13-26(27)28/h1-14,21,25,28,30-31,37,39H,15-20,22H2,(H,36,41)(H,38,42)/t25-,28+,30-,31-,35-/m0/s1 | | Synonyms: | LDC271 INHIBITOR | | Definition date: | 2003-01-22 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-3-oxo-4-[(4R)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate |
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 | | L34 | | Name: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI
C ACID | | Formula: | C20 H21 N7 O7 | | SMILES: | O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O)N)NCC2C3)cc4)CCC(=O)O | | InChi: | InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1 | | Synonyms: | LY345899 | | Definition date: | 1999-12-15 | | Last modified: | 2020-06-17 | | Identifier: | N-({4-[(6aR)-3-amino-1-hydroxy-9-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid |
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 | | L4P | | Name: | 3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL | | Formula: | C46 H95 O8 P | | SMILES: | O=P(O)(OCC(O)CO)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C | | InChi: | InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40?,41-,42?,43-,44-,45-,46+/m1/s1 | | Synonyms: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL | | Definition date: | 1999-09-22 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2,3-dihydroxypropyl (2S)-2-{[(3R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl hydrogen (R)-phosphate |
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 | | 0WN | | Name: | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | | Formula: | C24 H27 Cl F N5 O3 | | SMILES: | Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)CCCN(C)C | | InChi: | InChI=1S/C24H27ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h5-6,10-12,14,16H,3-4,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1 | | Synonyms: | Afatinib, bound form | | Definition date: | 2012-07-27 | | Last modified: | 2020-06-17 | | Release date: | 2012-08-24 | | Identifier: | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide |
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 | | LAE | | Name: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE | | Formula: | C12 H19 N O4 | | SMILES: | O=C1OCCC1NC(=O)CC(=O)CCCCC | | InChi: | InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1 | | Synonyms: | N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE | | Definition date: | 2002-03-07 | | Last modified: | 2020-06-17 | | Identifier: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide |
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 | | 0ZC | | Name: | (3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid | | Formula: | C23 H25 N3 O5 | | SMILES: | O=C(NC(C(=O)N3C(C(=O)O)Cc2c1ccccc1nc2C3)CC(C)C)c4occc4 | | InChi: | InChI=1S/C23H25N3O5/c1-13(2)10-17(25-21(27)20-8-5-9-31-20)22(28)26-12-18-15(11-19(26)23(29)30)14-6-3-4-7-16(14)24-18/h3-9,13,17,19,24H,10-12H2,1-2H3,(H,25,27)(H,29,30)/t17-,19-/m0/s1 | | Synonyms: | Furoyl-LeusycloTrp | | Definition date: | 2008-08-05 | | Last modified: | 2020-06-17 | | Identifier: | (3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
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 | | 15U | | Name: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic
acid | | Formula: | C23 H36 N6 O5 S | | SMILES: | O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cccc2c3NCC(C)C2)CCCNC(=[N@H])N | | InChi: | InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15+,17+,18-/m1/s1 | | Synonyms: | S-argatroban | | Definition date: | 2012-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2013-03-13 | | Identifier: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid |
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 | | 18T | | Name: | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl
(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate | | Formula: | C16 H26 N2 O15 P2 | | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)C | | InChi: | InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1 | | Synonyms: | dTDP-6-deoxy-d-allose | | Definition date: | 2012-11-05 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | KIR | | Name: | KIRROMYCIN | | Formula: | C43 H60 N2 O12 | | SMILES: | O=C1NC=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C | | InChi: | InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1 | | Synonyms: | MOCIMYCIN | | Definition date: | 2002-04-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) |
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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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 | | MAU | | Name: | N-METHYL KIRROMYCIN | | Formula: | C44 H62 N2 O12 | | SMILES: | O=C1N(C=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C)C | | InChi: | InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1 | | Synonyms: | AURODOX | | Definition date: | 2001-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) |
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 | | MAY | | Name: | METHYL ARACHIDONYL FLUOROPHOSPHONATE | | Formula: | C21 H36 F O2 P | | SMILES: | FP(=O)(OC)CCCCC=C/CC=C/CC=C/CC=C/CCCCC | | InChi: | InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1 | | Synonyms: | MAFP | | Definition date: | 2002-10-01 | | Last modified: | 2020-06-17 | | Identifier: | methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate |
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 | | MBT | | Name: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM | | Formula: | C16 H18 N3 S | | SMILES: | [s+]1c3c(nc2c1cc(cc2)N(C)C)ccc(N(C)C)c3 | | InChi: | InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1 | | Synonyms: | METHYLENE BLUE | | Definition date: | 2007-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 3,7-bis(dimethylamino)phenothiazin-5-ium |
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 | | MC9 | | Name: | CALCIPOTRIOL | | Formula: | C27 H40 O3 | | SMILES: | OC4C(=C)/C(=CC=C2/CCCC3(C)C(C(/C=C/C(O)C1CC1)C)CCC23)CC(O)C4 | | InChi: | InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1 | | Synonyms: | (1S,5Z,7Z,17ALPHA,22E)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10,22-TETRAENE-1,3,24-TRIOL | | Definition date: | 2004-01-14 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,5Z,7E,14beta,17alpha,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol |
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