Mol:FL3FEAGS0018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9617 -3.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9617 -3.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5626 -3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5626 -3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0732 -3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0732 -3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0172 -3.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0172 -3.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3818 -2.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3818 -2.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8712 -3.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8712 -3.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5067 -2.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5067 -2.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5971 -2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5971 -2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1981 -2.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1981 -2.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2913 -2.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2913 -2.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8988 -3.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8988 -3.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2885 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2885 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7873 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7873 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8795 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8795 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4729 -0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4729 -0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0259 -0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0259 -0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1181 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1181 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1880 -3.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1880 -3.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7188 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7188 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6671 1.2233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.6671 1.2233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.2795 0.5519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.2795 0.5519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0249 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0249 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7749 0.5519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.7749 0.5519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.1626 1.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.1626 1.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4171 1.0103 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.4171 1.0103 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.1402 1.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1402 1.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7241 1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7241 1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7220 0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7220 0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6652 -3.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6652 -3.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6500 -3.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6500 -3.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2871 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2871 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0016 0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0016 0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1388 -4.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1388 -4.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9274 -4.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9274 -4.9276 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 |
| − | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 2 33 1 0 0 0 0 | + | 2 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 3.2871 0.5786 | + | M SVB 3 34 3.2871 0.5786 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 -4.0016 -0.7226 | + | M SVB 2 36 -4.0016 -0.7226 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -3.6443 0.2644 | + | M SVB 1 32 -3.6443 0.2644 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEAGS0018 | + | ID FL3FEAGS0018 |
| − | KNApSAcK_ID C00004234 | + | KNApSAcK_ID C00004234 |
| − | NAME Scutellarein 6,7-dimethyl ether 4'-glucoside | + | NAME Scutellarein 6,7-dimethyl ether 4'-glucoside |
| − | CAS_RN 13020-19-4 | + | CAS_RN 13020-19-4 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES C(=O)(c43)C=C(Oc(cc(c(OC)c(O)4)OC)3)c(c1)ccc(O[C@@H](C(O)2)O[C@H](CO)[C@H](O)C2O)c1 | + | SMILES C(=O)(c43)C=C(Oc(cc(c(OC)c(O)4)OC)3)c(c1)ccc(O[C@@H](C(O)2)O[C@H](CO)[C@H](O)C2O)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/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.9617 -3.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5626 -3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0732 -3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 -3.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3818 -2.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8712 -3.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5067 -2.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5971 -2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1981 -2.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2913 -2.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8988 -3.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2885 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7873 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8795 -0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4729 -0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0259 -0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1181 -1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1880 -3.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7188 0.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6671 1.2233 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.2795 0.5519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0249 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7749 0.5519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1626 1.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4171 1.0103 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1402 1.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7241 1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7220 0.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -3.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6500 -3.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2871 0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0016 0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1388 -4.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9274 -4.9276 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
18 3 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 15 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
31 32 1 0 0 0 0
2 33 1 0 0 0 0
33 34 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 3.2871 0.5786
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 -4.0016 -0.7226
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -3.6443 0.2644
S SKP 8
ID FL3FEAGS0018
KNApSAcK_ID C00004234
NAME Scutellarein 6,7-dimethyl ether 4'-glucoside
CAS_RN 13020-19-4
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES C(=O)(c43)C=C(Oc(cc(c(OC)c(O)4)OC)3)c(c1)ccc(O[C@@H](C(O)2)O[C@H](CO)[C@H](O)C2O)c1
M END
