 | | YIW | | Name: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea | | Formula: | C30 H33 N7 O S | | SMILES: | O=C(Nc2cc(nn2c1ccccc1)C(C)(C)C)NCc5ccccc5Sc3cn4c(nnc4cc3)C(C)C | | InChi: | InChI=1S/C30H33N7OS/c1-20(2)28-34-33-26-16-15-23(19-36(26)28)39-24-14-10-9-11-21(24)18-31-29(38)32-27-17-25(30(3,4)5)35-37(27)22-12-7-6-8-13-22/h6-17,19-20H,18H2,1-5H3,(H2,31,32,38) | | Definition date: | 2011-05-17 | | Last modified: | 2011-11-25 | | Identifier: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea |
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 | | G2Q | | Name: | GUANOSINE DIPHOSPHATE RIBOSE | | Formula: | C15 H23 N5 O14 P2 | | SMILES: | O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n2cnc3c2NC(=NC3=O)N)C(O)C4O | | InChi: | InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10+,11+,14+/m0/s1 | | Definition date: | 2011-08-24 | | Last modified: | 2011-11-25 | | Identifier: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | LNP | | Name: | (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol | | Formula: | C33 H54 O | | SMILES: | OC5C(C1C(C3C(=CC1)C4(C=C2/CC2)C(CC3)(C)C(C(C)CCCC(C)C)CC4)(C)CC5)(C)C | | InChi: | InChI=1S/C33H54O/c1-22(2)9-8-10-23(3)25-16-20-33(21-24-11-12-24)27-13-14-28-30(4,5)29(34)17-18-31(28,6)26(27)15-19-32(25,33)7/h13,21-23,25-26,28-29,34H,8-12,14-20H2,1-7H3/t23-,25-,26-,28-,29+,31-,32-,33-/m1/s1 | | Definition date: | 2010-11-03 | | Last modified: | 2011-11-25 | | Identifier: | (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol |
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 | | 08K | | Name: | 8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine | | Formula: | C17 H14 Cl N5 | | SMILES: | Clc3ccc2n1c(nnc1C)N(N=C(c2c3)c4ccccc4)C | | InChi: | InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3 | | Definition date: | 2011-10-13 | | Last modified: | 2011-11-18 | | Identifier: | 8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine |
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 | | JMQ | | Name: | 7-(((2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one | | Formula: | C12 H16 N4 O4 | | SMILES: | O=C2NC=Nc1c(cnc12)CN3C(C(O)C(O)C3)CO | | InChi: | InChI=1S/C12H16N4O4/c17-4-7-11(19)8(18)3-16(7)2-6-1-13-10-9(6)14-5-15-12(10)20/h1,5,7-8,11,13,17-19H,2-4H2,(H,14,15,20)/t7-,8+,11-/m1/s1 | | Definition date: | 2008-10-02 | | Last modified: | 2011-11-17 | | Identifier: | 7-{[(2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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 | | FI1 | | Name: | 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide | | Formula: | C28 H29 Cl N4 O5 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N(CCC3)CC(=O)N6CC5CN4C(=O)C=CC=C4C(C5)C6 | | InChi: | InChI=1S/C28H29ClN4O5S/c29-22-8-6-20-13-23(9-7-19(20)12-22)39(37,38)30-24-3-2-10-31(28(24)36)17-27(35)32-14-18-11-21(16-32)25-4-1-5-26(34)33(25)15-18/h1,4-9,12-13,18,21,24,30H,2-3,10-11,14-17H2/t18-,21+,24-/m0/s1 | | Definition date: | 2011-07-15 | | Last modified: | 2011-11-11 | | Identifier: | 6-chloro-N-[(3S)-2-oxo-1-{2-oxo-2-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}piperidin-3-yl]naphthalene-2-sulfonamide |
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 | | QUL | | Name: | N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine | | Formula: | C21 H24 N4 | | SMILES: | n2c1ccccc1c(c4c2c3ccccc3n4)NCCN(CC)CC | | InChi: | InChI=1S/C21H24N4/c1-3-25(4-2)14-13-22-19-15-9-5-7-11-17(15)23-20-16-10-6-8-12-18(16)24-21(19)20/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23) | | Definition date: | 2011-01-12 | | Last modified: | 2011-11-04 | | Identifier: | N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine |
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 | | 5OC | | Name: | 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate) | | Formula: | C9 H14 N3 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(O)=C1)CC2O | | InChi: | InChI=1S/C9H14N3O8P/c10-8-5(14)2-12(9(15)11-8)7-1-4(13)6(20-7)3-19-21(16,17)18/h2,4,6-7,13-14H,1,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6+,7+/m0/s1 | | Definition date: | 2011-08-15 | | Last modified: | 2011-11-04 | | Identifier: | 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate) |
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 | | OOP | | Name: | 1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | | Formula: | C23 H35 N4 O17 P3 | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)C(C(=C)/CCOP(=O)(O)OP(=O)(O)O)CO | | InChi: | InChI=1S/C23H35N4O17P3/c1-11(4-5-42-47(40,41)44-46(37,38)39)14(9-28)23-20(24-22(33)25-21(23)32)27(16-7-13(3)12(2)6-15(16)26-23)8-17(29)19(31)18(30)10-43-45(34,35)36/h6-7,14,17-19,26,28-31H,1,4-5,8-10H2,2-3H3,(H,40,41)(H,25,32,33)(H2,34,35,36)(H2,37,38,39)/t14-,17+,18-,19+,23-/m1/s1 | | Definition date: | 2011-06-17 | | Last modified: | 2011-10-28 | | Identifier: | 1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | VNR | | Name: | 1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | | Formula: | C23 H35 N4 O16 P3 | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CN2C3=NC(=O)NC(=O)C3(Nc1cc(c(cc12)C)C)CC(=C/C)/CCOP(=O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C23H35N4O16P3/c1-4-14(5-6-41-46(39,40)43-45(36,37)38)9-23-20(24-22(32)25-21(23)31)27(16-8-13(3)12(2)7-15(16)26-23)10-17(28)19(30)18(29)11-42-44(33,34)35/h4,7-8,17-19,26,28-30H,5-6,9-11H2,1-3H3,(H,39,40)(H,25,31,32)(H2,33,34,35)(H2,36,37,38)/b14-4+/t17-,18+,19-,23+/m0/s1 | | Definition date: | 2011-06-15 | | Last modified: | 2011-10-28 | | Identifier: | 1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | F5N | | Name: | 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide | | Formula: | C15 H13 N3 O | | SMILES: | O=C(Nc1ccccc1)Cc2nc3ccccn3c2 | | InChi: | InChI=1S/C15H13N3O/c19-15(17-12-6-2-1-3-7-12)10-13-11-18-9-5-4-8-14(18)16-13/h1-9,11H,10H2,(H,17,19) | | Definition date: | 2010-11-18 | | Last modified: | 2011-10-28 | | Identifier: | 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide |
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 | | 8AX | | Name: | 6-{[(3R,4R)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | | Formula: | C21 H27 Cl F2 N4 O | | SMILES: | Clc1cccc(c1)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C | | InChi: | InChI=1S/C21H27ClF2N4O/c1-14-7-18(28-20(25)8-14)9-15-11-27-12-19(15)29-6-5-26-13-21(23,24)16-3-2-4-17(22)10-16/h2-4,7-8,10,15,19,26-27H,5-6,9,11-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1 | | Definition date: | 2010-11-29 | | Last modified: | 2011-10-28 | | Identifier: | 6-{[(3R,4R)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
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 | | 8BX | | Name: | 6-{[(3R,4R)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | | Formula: | C21 H27 Cl F2 N4 O | | SMILES: | Clc1ccccc1C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C | | InChi: | InChI=1S/C21H27ClF2N4O/c1-14-8-16(28-20(25)9-14)10-15-11-27-12-19(15)29-7-6-26-13-21(23,24)17-4-2-3-5-18(17)22/h2-5,8-9,15,19,26-27H,6-7,10-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1 | | Definition date: | 2010-11-30 | | Last modified: | 2011-10-28 | | Identifier: | 6-{[(3R,4R)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
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 | | 540 | | Name: | 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline | | Formula: | C19 H17 F N4 O | | SMILES: | Fc4cc3c(nc(c2c(nc(c1ccncc1C)n23)C)C)c(OC)c4 | | InChi: | InChI=1S/C19H17FN4O/c1-10-9-21-6-5-14(10)19-23-12(3)18-11(2)22-17-15(24(18)19)7-13(20)8-16(17)25-4/h5-9H,1-4H3 | | Definition date: | 2011-07-11 | | Last modified: | 2011-10-21 | | Identifier: | 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline |
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 | | 546 | | Name: | 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine | | Formula: | C18 H17 N5 O | | SMILES: | n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C | | InChi: | InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3 | | Definition date: | 2011-07-11 | | Last modified: | 2011-10-21 | | Identifier: | 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine |
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 | | 548 | | Name: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline | | Formula: | C19 H14 Cl F3 N4 | | SMILES: | FC(F)(F)c4cc3c(nc(c2c(nc(c1ccncc1C)n23)C)C)c(Cl)c4 | | InChi: | InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3 | | Definition date: | 2011-07-11 | | Last modified: | 2011-10-21 | | Identifier: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline |
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 | | CMC | | Name: | CARBOXYMETHYL COENZYME *A | | Formula: | C23 H38 N7 O18 P3 S | | SMILES: | O=C(O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-10-18 | | Identifier: | (3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name) |
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 | | YJX | | Name: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one | | Formula: | C18 H14 N4 O | | SMILES: | O=C2c1ccccc1C=5N2CCCC=5c4nc3ccncc3n4 | | InChi: | InChI=1S/C18H14N4O/c23-18-12-5-2-1-4-11(12)16-13(6-3-9-22(16)18)17-20-14-7-8-19-10-15(14)21-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21) | | Definition date: | 2011-05-24 | | Last modified: | 2011-10-14 | | Identifier: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one |
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 | | RKL | | Name: | Ru(tap)2(dppz) complex | | Formula: | C38 H22 N12 Ru | | SMILES: | n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13 | | InChi: | InChI=1S/C18H10N4.2C10H6N4.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16 | | Definition date: | 2011-02-09 | | Last modified: | 2011-10-14 | | Identifier: | (dipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+) |
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 | | UPC | | Name: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine | | Formula: | C10 H17 N2 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O | | InChi: | InChI=1S/C10H17N2O13P3/c13-6-3-9(12-2-1-8(14)11-10(12)15)24-7(6)4-23-26(16,17)5-27(18,19)25-28(20,21)22/h1-2,6-7,9,13H,3-5H2,(H,16,17)(H,18,19)(H,11,14,15)(H2,20,21,22)/t6-,7+,9+/m0/s1 | | Definition date: | 2011-07-11 | | Last modified: | 2011-10-07 | | Identifier: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine |
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 | | IAQ | | Name: | (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide | | Formula: | C24 H25 F N6 O | | SMILES: | O=C(C=C/CN(C)C)N(c2c(F)cc1nc(c3cncn3c1c2)Nc4ccccc4C)C | | InChi: | InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7- | | Definition date: | 2011-08-09 | | Last modified: | 2011-10-07 | | Identifier: | (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide |
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 | | 8CX | | Name: | 6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | | Formula: | C21 H28 F2 N4 O | | SMILES: | Fc1cccc(c1)C(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C | | InChi: | InChI=1S/C21H28F2N4O/c1-14-7-18(27-21(24)8-14)10-16-11-26-13-20(16)28-6-5-25-12-19(23)15-3-2-4-17(22)9-15/h2-4,7-9,16,19-20,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19+,20+/m1/s1 | | Definition date: | 2010-11-30 | | Last modified: | 2011-09-30 | | Identifier: | 6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
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 | | JK4 | | Name: | 6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | | Formula: | C21 H26 F4 N4 O | | SMILES: | Fc1cccc(c1F)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C | | InChi: | InChI=1S/C21H26F4N4O/c1-13-7-15(29-19(26)8-13)9-14-10-28-11-18(14)30-6-5-27-12-21(24,25)16-3-2-4-17(22)20(16)23/h2-4,7-8,14,18,27-28H,5-6,9-12H2,1H3,(H2,26,29)/t14-,18+/m1/s1 | | Definition date: | 2011-07-25 | | Last modified: | 2011-09-23 | | Identifier: | 6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
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 | | JK5 | | Name: | 6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | | Formula: | C21 H26 Cl F3 N4 O | | SMILES: | Fc1cc(cc(Cl)c1)C(F)(F)CNCCOC2C(CNC2)Cc3nc(N)cc(c3)C | | InChi: | InChI=1S/C21H26ClF3N4O/c1-13-4-18(29-20(26)5-13)6-14-10-28-11-19(14)30-3-2-27-12-21(24,25)15-7-16(22)9-17(23)8-15/h4-5,7-9,14,19,27-28H,2-3,6,10-12H2,1H3,(H2,26,29)/t14-,19+/m1/s1 | | Definition date: | 2011-07-25 | | Last modified: | 2011-09-23 | | Identifier: | 6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
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 | | SMA | | Name: | STIGMATELLIN A | | Formula: | C30 H42 O7 | | SMILES: | CO[CH](C=CC=CC(C)=CC)[CH](C)[CH](OC)[CH](C)CCC1=C(C)C(=O)c2c(OC)cc(OC)c(O)c2O1 | | InChi: | InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12?,18-10+/t19-,21+,22-,29-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-09-20 | | Identifier: | 2-[(3S,4S,5S,6S,9E,11E)-4,6-dimethoxy-3,5,11-trimethyl-trideca-7,9,11-trienyl]-5,7-dimethoxy-3-methyl-8-oxidanyl-chromen-4-one |
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