Mol:FLIB1GNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3617 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3617 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8054 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2491 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2491 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2491 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8054 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8054 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1365 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1365 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1365 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4196 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4196 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4196 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6092 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6092 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6092 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0144 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0144 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9178 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9178 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6928 -0.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6928 -0.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2034 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2034 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2034 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2034 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9178 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9178 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5970 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5970 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3115 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3115 -1.4494 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 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 22 -4.9190 5.4519 | + | M SBV 1 22 -4.9190 5.4519 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 24 -5.9306 4.9373 | + | M SBV 2 24 -5.9306 4.9373 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIB1GNS0001 | + | ID FLIB1GNS0001 |
| − | KNApSAcK_ID C00009961 | + | KNApSAcK_ID C00009961 |
| − | NAME 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone | + | NAME 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone |
| − | CAS_RN 124901-97-9 | + | CAS_RN 124901-97-9 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c1)c(O)c(OC)cc1C(C2)C(=O)c(c3)c(cc(O)c3)O2 | + | SMILES COc(c1)c(O)c(OC)cc1C(C2)C(=O)c(c3)c(cc(O)c3)O2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.3617 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1365 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4196 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6092 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0144 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9178 1.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -0.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2034 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9178 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5970 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 -1.4494 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 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
14 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SBV 1 22 -4.9190 5.4519
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SBV 2 24 -5.9306 4.9373
S SKP 8
ID FLIB1GNS0001
KNApSAcK_ID C00009961
NAME 7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone
CAS_RN 124901-97-9
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c1)c(O)c(OC)cc1C(C2)C(=O)c(c3)c(cc(O)c3)O2
M END
