Mol:FLIAAANF0002
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
− | -2.3368 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3368 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3368 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3368 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7805 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7805 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2242 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2242 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2242 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2242 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7805 2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7805 2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6679 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6679 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1116 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1116 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1116 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1116 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6679 2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6679 2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4445 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4445 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4445 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4445 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0393 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0393 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6341 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6341 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6341 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6341 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0393 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0393 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8929 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8929 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6679 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6679 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1821 -0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1821 -0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8651 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8651 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1444 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1444 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2082 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2082 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8929 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8929 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8658 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8658 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5532 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5532 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7805 0.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7805 0.1983 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 8 9 2 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 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
− | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
− | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
− | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAAANF0002 | + | ID FLIAAANF0002 |
− | KNApSAcK_ID C00009832 | + | KNApSAcK_ID C00009832 |
− | NAME Lupinisoflavone C | + | NAME Lupinisoflavone C |
− | CAS_RN 93373-47-8 | + | CAS_RN 93373-47-8 |
− | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
− | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
− | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
− | SMILES c(c4)(c(cc(c4)C(C(=O)2)=COc(c3)c2c(cc(O)3)O)1)OC(C1)C(C)(C)O | + | SMILES c(c4)(c(cc(c4)C(C(=O)2)=COc(c3)c2c(cc(O)3)O)1)OC(C1)C(C)(C)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -2.3368 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3368 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 1.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 0.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 0.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 -0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8651 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5532 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 0.1983 0.0000 O 0 0 0 0 0 0 0 0 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 2 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 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 7 18 2 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 3 26 1 0 0 0 0 S SKP 8 ID FLIAAANF0002 KNApSAcK_ID C00009832 NAME Lupinisoflavone C CAS_RN 93373-47-8 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c4)(c(cc(c4)C(C(=O)2)=COc(c3)c2c(cc(O)3)O)1)OC(C1)C(C)(C)O M END