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
