Mol:FL3FGCGS0011
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2869 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2869 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2869 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2869 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1642 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1642 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6152 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6152 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6152 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6152 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1642 0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1642 0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0663 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0663 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5174 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5174 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5174 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5174 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0663 0.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0663 0.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2380 -1.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2380 -1.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4280 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4280 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8877 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8877 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8877 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8877 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4280 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4280 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3474 1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3474 1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4280 1.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4280 1.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1642 -1.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1642 -1.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7727 -0.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7727 -0.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9045 -0.4102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.9045 -0.4102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.7267 -1.0737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7267 -1.0737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0399 -1.0775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0399 -1.0775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4451 -1.4209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4451 -1.4209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6228 -0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6228 -0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3098 -0.7536 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.3098 -0.7536 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.2672 -0.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2672 -0.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1660 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1660 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9022 -1.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9022 -1.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1326 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1326 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6959 0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6959 0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6441 0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6441 0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1440 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1440 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4030 0.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4030 0.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8010 1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8010 1.7324 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 6 35 1 0 0 0 0 | + | 6 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 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 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 34 | + | M SBL 3 1 34 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 34 -2.1326 -0.3857 | + | M SVB 3 34 -2.1326 -0.3857 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 35 36 | + | M SAL 2 2 35 36 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 38 0.403 0.815 | + | M SVB 2 38 0.403 0.815 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 -0.6441 0.6642 | + | M SVB 1 36 -0.6441 0.6642 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGCGS0011 | + | ID FL3FGCGS0011 |
| − | KNApSAcK_ID C00004523 | + | KNApSAcK_ID C00004523 |
| − | NAME Pleurostimin 7-methyl ether 6-glucoside;5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone 6-glucoside | + | NAME Pleurostimin 7-methyl ether 6-glucoside;5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone 6-glucoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C23H24O13 | + | FORMULA C23H24O13 |
| − | EXACTMASS 508.121690854 | + | EXACTMASS 508.121690854 |
| − | AVERAGEMASS 508.42886 | + | AVERAGEMASS 508.42886 |
| − | SMILES O[C@@H]([C@H]4O)[C@@H](OC(CO)[C@@H]4O)Oc(c(OC)3)c(O)c(c2c3OC)C(=O)C=C(O2)c(c1)ccc(c1O)O | + | SMILES O[C@@H]([C@H]4O)[C@@H](OC(CO)[C@@H]4O)Oc(c(OC)3)c(O)c(c2c3OC)C(=O)C=C(O2)c(c1)ccc(c1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.2869 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2869 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1642 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6152 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6152 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1642 0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5174 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5174 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 0.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2380 -1.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8877 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8877 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3474 1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 1.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1642 -1.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7727 -0.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9045 -0.4102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7267 -1.0737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0399 -1.0775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4451 -1.4209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6228 -0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3098 -0.7536 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2672 -0.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1660 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9022 -1.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1326 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6959 0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6441 0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1440 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4030 0.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8010 1.7324 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
1 33 1 0 0 0 0
33 34 1 0 0 0 0
6 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 34
M SMT 3 CH2OH
M SVB 3 34 -2.1326 -0.3857
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 38
M SMT 2 OCH3
M SVB 2 38 0.403 0.815
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 -0.6441 0.6642
S SKP 8
ID FL3FGCGS0011
KNApSAcK_ID C00004523
NAME Pleurostimin 7-methyl ether 6-glucoside;5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone 6-glucoside
CAS_RN -
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES O[C@@H]([C@H]4O)[C@@H](OC(CO)[C@@H]4O)Oc(c(OC)3)c(O)c(c2c3OC)C(=O)C=C(O2)c(c1)ccc(c1O)O
M END
