Mol:FLIB1LNS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6256 -0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6256 -0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1163 -0.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1163 -0.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1116 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1116 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6538 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6538 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5199 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5199 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -2.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -2.8654 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 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 0.7756 -1.0369 | + | M SVB 3 25 0.7756 -1.0369 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 2.0247 -0.7282 | + | M SVB 2 23 2.0247 -0.7282 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -0.1163 -0.4525 | + | M SVB 1 21 -0.1163 -0.4525 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1LNS0010 | + | ID FLIB1LNS0010 |
| − | KNApSAcK_ID C00009545 | + | KNApSAcK_ID C00009545 |
| − | NAME 3'-O-Methylviolanone;7-Hydroxy-2',3',4'-trimethoxyisoflavanone | + | NAME 3'-O-Methylviolanone;7-Hydroxy-2',3',4'-trimethoxyisoflavanone |
| − | CAS_RN 56973-42-3 | + | CAS_RN 56973-42-3 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES c(c3OC)(OC)ccc(c3OC)C(C2=O)COc(c21)cc(O)cc1 | + | SMILES c(c3OC)(OC)ccc(c3OC)C(C2=O)COc(c21)cc(O)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1831 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1831 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0421 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0421 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 -0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7392 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1163 -0.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1116 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5199 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -2.8654 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 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 0.7756 -1.0369
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 2.0247 -0.7282
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -0.1163 -0.4525
S SKP 8
ID FLIB1LNS0010
KNApSAcK_ID C00009545
NAME 3'-O-Methylviolanone;7-Hydroxy-2',3',4'-trimethoxyisoflavanone
CAS_RN 56973-42-3
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES c(c3OC)(OC)ccc(c3OC)C(C2=O)COc(c21)cc(O)cc1
M END
