Mol:FL3FA8GS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2964 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2964 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2964 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2964 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5819 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5819 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1326 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1326 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1326 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1326 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5819 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5819 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8470 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8470 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5615 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5615 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5615 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5615 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8470 1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8470 1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2760 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2760 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9905 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9905 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7049 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7049 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7049 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7049 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9905 2.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9905 2.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2760 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2760 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8470 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8470 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5819 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5819 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0108 1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0108 1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2217 -1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2217 -1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8091 -1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8091 -1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0107 -1.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0107 -1.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2173 -1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2173 -1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6298 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6298 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4282 -1.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4282 -1.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5852 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5852 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0651 -0.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0651 -0.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7049 -1.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7049 -1.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2578 -1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2578 -1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1822 -2.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1822 -2.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9905 -0.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9905 -0.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7114 0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7114 0.6659 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 |
| − | 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 19 32 1 0 0 0 0 | + | 19 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA8GS0004 | + | ID FL3FA8GS0004 |
| − | KNApSAcK_ID C00013605 | + | KNApSAcK_ID C00013605 |
| − | NAME Echioidinin 5-O-glucoside;5,2'-Dihydroxy-7-methoxyflavone 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(2-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one | + | NAME Echioidinin 5-O-glucoside;5,2'-Dihydroxy-7-methoxyflavone 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(2-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 220170-97-8 | + | CAS_RN 220170-97-8 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES C(=C3)(c(c4O)cccc4)Oc(c(C(=O)3)1)cc(OC)cc(OC(C(O)2)OC(CO)C(C2O)O)1 | + | SMILES C(=C3)(c(c4O)cccc4)Oc(c(C(=O)3)1)cc(OC)cc(OC(C(O)2)OC(CO)C(C2O)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.2964 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2964 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1326 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1326 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8470 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5615 -0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5615 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8470 1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9905 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7049 1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7049 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9905 2.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8470 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0108 1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2217 -1.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8091 -1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0107 -1.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2173 -1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6298 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4282 -1.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5852 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0651 -0.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7049 -1.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2578 -1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1822 -2.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9905 -0.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7114 0.6659 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
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
9 11 1 0 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 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
12 31 1 0 0 0 0
23 18 1 0 0 0 0
19 32 1 0 0 0 0
S SKP 8
ID FL3FA8GS0004
KNApSAcK_ID C00013605
NAME Echioidinin 5-O-glucoside;5,2'-Dihydroxy-7-methoxyflavone 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(2-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 220170-97-8
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES C(=C3)(c(c4O)cccc4)Oc(c(C(=O)3)1)cc(OC)cc(OC(C(O)2)OC(CO)C(C2O)O)1
M END
