Mol:FLICQUNS0003
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 |
| − | -2.1831 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 |
| − | 0.0040 -0.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0040 -0.8650 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 |
| − | 2.3820 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3820 0.5079 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 | + | 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 |
| − | 0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4901 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4901 -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 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 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 |
| − | 12 17 2 0 0 0 0 | + | 12 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 2 0 0 0 0 | + | 15 19 2 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 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 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 SVB 2 24 0.7756 -1.0369 | + | M SVB 2 24 0.7756 -1.0369 |
| − | 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 SVB 1 22 2.0247 -0.7282 | + | M SVB 1 22 2.0247 -0.7282 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLICQUNS0003 | + | ID FLICQUNS0003 |
| − | KNApSAcK_ID C00009742 | + | KNApSAcK_ID C00009742 |
| − | NAME Pendulone;7-Hydroxy-3',4'-dimethoxyisoflavanquinone | + | NAME Pendulone;7-Hydroxy-3',4'-dimethoxyisoflavanquinone |
| − | CAS_RN 69359-09-7 | + | CAS_RN 69359-09-7 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c(=O)3)c(OC)c(=O)c(c3)C(C1)Cc(c2)c(cc(O)c2)O1 | + | SMILES COc(c(=O)3)c(OC)c(=O)c(c3)C(C1)Cc(c2)c(cc(O)c2)O1 |
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
-2.1831 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
0.0040 -0.8650 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
2.3820 0.5079 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
0.7756 -1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -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 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 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
12 17 2 0 0 0 0
1 18 1 0 0 0 0
15 19 2 0 0 0 0
14 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 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 0.7756 -1.0369
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 SVB 1 22 2.0247 -0.7282
S SKP 8
ID FLICQUNS0003
KNApSAcK_ID C00009742
NAME Pendulone;7-Hydroxy-3',4'-dimethoxyisoflavanquinone
CAS_RN 69359-09-7
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c(=O)3)c(OC)c(=O)c(c3)C(C1)Cc(c2)c(cc(O)c2)O1
M END
