Mol:FL6D1CNS0006
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 |
| − | -2.1684 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1684 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1684 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1684 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6121 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6121 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0558 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0558 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0558 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6121 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6121 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4995 -1.1003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.4995 -1.1003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.0568 -0.7791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.0568 -0.7791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.0568 -0.1368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.0568 -0.1368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.4995 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4995 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6129 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6129 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1799 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1799 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7469 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7469 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7469 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7469 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1799 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1799 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6129 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6129 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4995 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4995 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6129 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6129 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7469 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7469 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7469 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7469 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3819 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3819 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1942 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1942 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4633 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4633 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9047 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9047 2.6397 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 7 17 1 1 0 0 0 | + | 7 17 1 1 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 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 1.4633 1.7424 | + | M SVB 3 25 1.4633 1.7424 |
| − | 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 -2.2313 0.2334 | + | M SVB 2 23 -2.2313 0.2334 |
| − | 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 2.3137 1.1662 | + | M SVB 1 21 2.3137 1.1662 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6D1CNS0006 | + | ID FL6D1CNS0006 |
| − | KNApSAcK_ID C00009000 | + | KNApSAcK_ID C00009000 |
| − | NAME Fisetinidol-4beta-ol 7,3',4'-trimethyl ether | + | NAME Fisetinidol-4beta-ol 7,3',4'-trimethyl ether |
| − | CAS_RN 1166-05-8 | + | CAS_RN 1166-05-8 |
| − | FORMULA C18H20O6 | + | FORMULA C18H20O6 |
| − | EXACTMASS 332.125988372 | + | EXACTMASS 332.125988372 |
| − | AVERAGEMASS 332.3478 | + | AVERAGEMASS 332.3478 |
| − | SMILES O(c23)[C@@H]([C@H]([C@H](c2ccc(OC)c3)O)O)c(c1)cc(OC)c(OC)c1 | + | SMILES O(c23)[C@@H]([C@H]([C@H](c2ccc(OC)c3)O)O)c(c1)cc(OC)c(OC)c1 |
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
-2.1684 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1684 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6121 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6121 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4995 -1.1003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0568 -0.7791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0568 -0.1368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4995 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6129 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7469 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7469 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6129 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4995 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6129 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7469 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7469 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3819 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1942 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4633 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 2.6397 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
9 11 1 6 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
7 17 1 1 0 0 0
8 18 1 1 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
15 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 1.4633 1.7424
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 -2.2313 0.2334
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 2.3137 1.1662
S SKP 8
ID FL6D1CNS0006
KNApSAcK_ID C00009000
NAME Fisetinidol-4beta-ol 7,3',4'-trimethyl ether
CAS_RN 1166-05-8
FORMULA C18H20O6
EXACTMASS 332.125988372
AVERAGEMASS 332.3478
SMILES O(c23)[C@@H]([C@H]([C@H](c2ccc(OC)c3)O)O)c(c1)cc(OC)c(OC)c1
M END
