Mol:FLIC1LNP0004
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2916 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2916 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2916 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2916 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7353 0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7353 0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1790 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1790 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1790 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1790 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7353 1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7353 1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6227 0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6227 0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0664 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0664 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0664 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0664 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6227 1.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6227 1.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4897 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4897 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4897 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4897 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0844 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0844 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6792 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6792 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6792 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6792 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0844 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0844 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8477 1.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8477 1.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2734 -0.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2734 -0.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0844 -1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0844 -1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6792 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6792 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2734 -1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2734 -1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2734 -1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2734 -1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8477 -1.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8477 -1.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2248 -0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2248 -0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4897 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4897 -0.5036 0.0000 C 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 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 |
− | 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 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
− | M SBL 1 1 27 | + | M SBL 1 1 27 |
− | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
− | M SBV 1 27 -6.9414 5.2304 | + | M SBV 1 27 -6.9414 5.2304 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIC1LNP0004 | + | ID FLIC1LNP0004 |
− | KNApSAcK_ID C00009725 | + | KNApSAcK_ID C00009725 |
− | NAME 2'-O-Methylphaseollinisoflavan | + | NAME 2'-O-Methylphaseollinisoflavan |
− | CAS_RN 49594-01-6 | + | CAS_RN 49594-01-6 |
− | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
− | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
− | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
− | SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(c(c(c3)2)C=CC(C)(C)O2)OC)1 | + | SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(c(c(c3)2)C=CC(C)(C)O2)OC)1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.2916 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2916 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7353 0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7353 1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6227 0.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 1.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6227 1.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0844 -0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0844 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 1.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 -0.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0844 -1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 -1.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 -1.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 -1.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 -0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 -0.5036 0.0000 C 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 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 1 2 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 12 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 ^OCH3 M SBV 1 27 -6.9414 5.2304 S SKP 8 ID FLIC1LNP0004 KNApSAcK_ID C00009725 NAME 2'-O-Methylphaseollinisoflavan CAS_RN 49594-01-6 FORMULA C21H22O4 EXACTMASS 338.151809192 AVERAGEMASS 338.39698 SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(c(c(c3)2)C=CC(C)(C)O2)OC)1 M END