 | | LNL | | Name: | ALPHA-LINOLENIC ACID | | Formula: | C18 H30 O2 | | SMILES: | O=C(O)CCCCCCCC=C/CC=C/CC=C/CC | | InChi: | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- | | Definition date: | 2000-08-23 | | Last modified: | 2011-06-04 | | Identifier: | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
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 | | ULA | | Name: | ULAPUALIDE A | | Formula: | C46 H66 N4 O13 | | SMILES: | O=C(OC(C(/C=CN(C)CO)C)C(C(=O)CCC(C)C(OC)CC4OC(=O)CC(O)CCCC(=O)CC(c1nc(oc1)c2nc(oc2)c3nc(oc3)C=CCC(OC)C4C)C)C)C | | InChi: | InChI=1S/C46H66N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-25,27-31,34,39-41,44,51,54H,10,12-14,16-17,20-22,26H2,1-9H3/b15-11+,19-18?/t27-,28?,29-,30+,31+,34-,39-,40-,41-,44?/m0/s1 | | Definition date: | 2004-02-09 | | Last modified: | 2011-06-04 | | Identifier: | (2S,6S,7S)-8-[(10S,16S,20S,21R,22S,24E)-16-hydroxy-22-methoxy-10,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-1-{3-[(hydroxymethyl)(methyl)amino]-1-methylprop-2-en-1-yl}-7-methoxy-2,6-dimethyl-3-oxooctyl acetate |
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 | | IIA | | Name: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE | | Formula: | C25 H27 Cl N4 O2 S | | SMILES: | Clc5sc(c1onc(c1)Cn4c2ccccc2cc4C(=O)NC3CCN(C(C)C)CC3)cc5 | | InChi: | InChI=1S/C25H27ClN4O2S/c1-16(2)29-11-9-18(10-12-29)27-25(31)21-13-17-5-3-4-6-20(17)30(21)15-19-14-22(32-28-19)23-7-8-24(26)33-23/h3-8,13-14,16,18H,9-12,15H2,1-2H3,(H,27,31) | | Definition date: | 2005-04-11 | | Last modified: | 2011-06-04 | | Identifier: | 1-{[5-(5-chlorothiophen-2-yl)isoxazol-3-yl]methyl}-N-[1-(1-methylethyl)piperidin-4-yl]-1H-indole-2-carboxamide |
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 | | 4NZ | | Name: | 4-nitrobenzenesulfonamide | | Formula: | C6 H6 N2 O4 S | | SMILES: | O=S(=O)(N)c1ccc([N+]([O-])=O)cc1 | | InChi: | InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12) | | Definition date: | 2010-04-01 | | Last modified: | 2011-06-04 | | Identifier: | 4-nitrobenzenesulfonamide |
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 | | EXO | | Name: | (1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE-1,2,3,4-TETRAOL | | Formula: | C7 H12 O4 | | SMILES: | OC1CC(=C)/C(O)C(O)C1O | | InChi: | InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h4-11H,1-2H2/t4-,5-,6+,7+/m1/s1 | | Definition date: | 2006-04-28 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2S,3S,4R)-5-methylidenecyclohexane-1,2,3,4-tetrol |
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 | | HV5 | | Name: | TERT-BUTYLALANINE | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)C(N)C(C)(C)C | | InChi: | InChI=1/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1/f/h8H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | 3-methyl-L-valine |
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 | | SFN | | Name: | SULFONATE GROUP | | Formula: | H O3 S | | SMILES: | [O-]S(=O)=O | | InChi: | InChI=1/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1/fHO3S/q-1 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (dioxidosulfanyl)oxidanide |
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 | | OF1 | | Name: | FERROUS ION, 1 WATER COORDINATED | | Formula: | Fe H2 O | | SMILES: | O|[Fe++] | | InChi: | InChI=1/Fe.H2O/h | | Definition date: | 1999-07-13 | | Last modified: | 2008-10-14 |
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