Mol:FL3FEAGS0005
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 |
| − | 0.1774 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1774 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1774 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1774 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6285 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6285 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0795 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0795 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0795 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0795 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6285 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6285 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5306 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5306 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9817 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9817 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9817 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9817 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5306 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5306 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7022 -1.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7022 -1.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4326 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4326 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8923 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8923 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3520 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3520 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3520 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3520 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8923 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8923 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4326 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4326 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2735 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2735 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8116 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8116 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5581 -1.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5581 -1.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2727 -0.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2727 -0.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0978 0.1878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.0978 0.1878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.5822 -0.4928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5822 -0.4928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8397 -0.2041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8397 -0.2041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 -0.1963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1232 -0.1963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6438 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6438 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2934 -0.0185 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.2934 -0.0185 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8116 -0.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8116 -0.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3860 -0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3860 -0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4142 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4142 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4964 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4964 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4512 1.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4512 1.1786 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 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 18 1 0 0 0 0 | + | 25 18 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 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 -2.4964 0.8814 | + | M SVB 1 34 -2.4964 0.8814 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0005 | + | ID FL3FEAGS0005 |
| − | KNApSAcK_ID C00004220 | + | KNApSAcK_ID C00004220 |
| − | NAME Scutellarein 7-glucoside | + | NAME Scutellarein 7-glucoside |
| − | CAS_RN 26046-94-6 | + | CAS_RN 26046-94-6 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES [C@@H]([C@@H]1Oc(c2O)cc(O3)c(C(=O)C=C(c(c4)ccc(O)c4)3)c2O)(O)[C@@H](O)[C@@H](O)C(O1)CO | + | SMILES [C@@H]([C@@H]1Oc(c2O)cc(O3)c(C(=O)C=C(c(c4)ccc(O)c4)3)c2O)(O)[C@@H](O)[C@@H](O)C(O1)CO |
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
0.1774 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1774 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6285 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0795 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0795 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6285 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5306 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9817 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9817 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5306 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7022 -1.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4326 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8923 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3520 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3520 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8923 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4326 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2735 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8116 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5581 -1.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2727 -0.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0978 0.1878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5822 -0.4928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8397 -0.2041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1232 -0.1963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6438 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2934 -0.0185 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8116 -0.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3860 -0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4142 -0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4964 0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4512 1.1786 0.0000 O 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 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 18 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SVB 1 34 -2.4964 0.8814
S SKP 8
ID FL3FEAGS0005
KNApSAcK_ID C00004220
NAME Scutellarein 7-glucoside
CAS_RN 26046-94-6
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES [C@@H]([C@@H]1Oc(c2O)cc(O3)c(C(=O)C=C(c(c4)ccc(O)c4)3)c2O)(O)[C@@H](O)[C@@H](O)C(O1)CO
M END
