Mol:FLID2CNS0005
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 22 26 0 0 0 0 0 0 0 0999 V2000 | + | 22 26 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1783 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1783 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1783 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1783 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6220 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6220 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0657 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0657 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0657 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0657 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6220 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6220 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5094 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5094 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0469 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0469 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0469 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0469 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5094 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5094 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6030 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6030 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6030 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6030 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1978 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1978 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7926 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7926 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7926 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7926 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1978 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1978 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5077 -0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5077 -0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8495 1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8495 1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7344 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7344 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4458 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4458 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8495 -0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8495 -0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4458 0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4458 0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLID2CNS0005 | + | ID FLID2CNS0005 |
− | KNApSAcK_ID C00010008 | + | KNApSAcK_ID C00010008 |
− | NAME 2-Hydroxymaackiain;2,3-Dihydroxy-8,9-methylenedioxypterocarpan | + | NAME 2-Hydroxymaackiain;2,3-Dihydroxy-8,9-methylenedioxypterocarpan |
− | CAS_RN 128585-10-4 | + | CAS_RN 128585-10-4 |
− | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
− | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
− | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
− | SMILES Oc(c5)c(O)cc(c45)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1 | + | SMILES Oc(c5)c(O)cc(c45)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 22 26 0 0 0 0 0 0 0 0999 V2000 -2.1783 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 1.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0469 0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 -1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8495 1.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7344 -0.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 -0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 15 1 0 0 0 0 S SKP 8 ID FLID2CNS0005 KNApSAcK_ID C00010008 NAME 2-Hydroxymaackiain;2,3-Dihydroxy-8,9-methylenedioxypterocarpan CAS_RN 128585-10-4 FORMULA C16H12O6 EXACTMASS 300.063388116 AVERAGEMASS 300.26288 SMILES Oc(c5)c(O)cc(c45)C(O1)C(CO4)c(c2)c(cc(O3)c(OC3)2)1 M END