Mol:FL4DCDNS0001
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 |
| − | -1.9244 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9244 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9244 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9244 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1591 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.1591 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.1591 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.1591 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6795 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6795 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7482 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7482 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7482 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7482 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6795 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6795 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5905 -1.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5905 -1.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7482 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7482 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2817 0.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 0.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7818 1.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7818 1.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4806 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4806 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9067 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9067 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 1.4806 1.6478 | + | M SVB 2 25 1.4806 1.6478 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.2817 0.474 | + | M SVB 1 23 -2.2817 0.474 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCDNS0001 | + | ID FL4DCDNS0001 |
| − | KNApSAcK_ID C00008581 | + | KNApSAcK_ID C00008581 |
| − | NAME Taxifolin 7,3'-dimethyl ether | + | NAME Taxifolin 7,3'-dimethyl ether |
| − | CAS_RN 37971-67-8 | + | CAS_RN 37971-67-8 |
| − | FORMULA C17H16O7 | + | FORMULA C17H16O7 |
| − | EXACTMASS 332.089602866 | + | EXACTMASS 332.089602866 |
| − | AVERAGEMASS 332.30474 | + | AVERAGEMASS 332.30474 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)cc(OC)c(O)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)cc(OC)c(O)c2 |
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
-1.9244 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9244 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1591 -0.7462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1591 -0.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3618 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 -0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 0.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 -1.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7482 0.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 0.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7818 1.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9067 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
8 18 1 1 0 0 0
2 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 1.4806 1.6478
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.2817 0.474
S SKP 8
ID FL4DCDNS0001
KNApSAcK_ID C00008581
NAME Taxifolin 7,3'-dimethyl ether
CAS_RN 37971-67-8
FORMULA C17H16O7
EXACTMASS 332.089602866
AVERAGEMASS 332.30474
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@H](O)[C@H]1c(c2)cc(OC)c(O)c2
M END
