Mol:FLIC1LNI0005
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1736 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1736 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1736 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1736 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6173 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0610 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0610 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0610 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0610 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6173 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5047 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5047 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0516 -0.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0516 -0.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0516 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0516 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5047 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5047 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6077 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6077 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6077 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6077 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2025 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2025 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7973 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7973 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7973 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7973 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2025 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2025 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2025 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2025 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7488 0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7488 0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6173 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1734 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1734 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1734 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1734 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7295 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7295 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6173 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6633 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6633 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5294 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5294 -2.6395 0.0000 C 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 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 |
| − | 14 24 1 0 0 0 0 | + | 14 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 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 2.0343 -1.8458 | + | M SVB 1 26 2.0343 -1.8458 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNI0005 | + | ID FLIC1LNI0005 |
| − | KNApSAcK_ID C00010035 | + | KNApSAcK_ID C00010035 |
| − | NAME 4'-O-Methylpreglabridin;(3S)-7,2'-Dihydroxy-4'-methoxy-8-prenylisoflavan | + | NAME 4'-O-Methylpreglabridin;(3S)-7,2'-Dihydroxy-4'-methoxy-8-prenylisoflavan |
| − | CAS_RN 105072-18-2 | + | CAS_RN 105072-18-2 |
| − | FORMULA C21H24O4 | + | FORMULA C21H24O4 |
| − | EXACTMASS 340.167459256 | + | EXACTMASS 340.167459256 |
| − | AVERAGEMASS 340.41285999999997 | + | AVERAGEMASS 340.41285999999997 |
| − | SMILES c(c3)c(c(CC=C(C)C)c(c31)OCC(c(c2)c(cc(OC)c2)O)C1)O | + | SMILES c(c3)c(c(CC=C(C)C)c(c31)OCC(c(c2)c(cc(OC)c2)O)C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1736 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1736 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0610 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0610 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5047 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0516 -0.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0516 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5047 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6077 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6077 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2025 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7488 0.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1734 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1734 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7295 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6633 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5294 -2.6395 0.0000 C 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
16 17 1 0 0 0 0
1 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 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 26
M SMT 1 OCH3
M SVB 1 26 2.0343 -1.8458
S SKP 8
ID FLIC1LNI0005
KNApSAcK_ID C00010035
NAME 4'-O-Methylpreglabridin;(3S)-7,2'-Dihydroxy-4'-methoxy-8-prenylisoflavan
CAS_RN 105072-18-2
FORMULA C21H24O4
EXACTMASS 340.167459256
AVERAGEMASS 340.41285999999997
SMILES c(c3)c(c(CC=C(C)C)c(c31)OCC(c(c2)c(cc(OC)c2)O)C1)O
M END
