Mol:FL3FFAGS0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4110 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4110 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4110 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4110 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9821 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9821 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9821 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9821 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2676 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2676 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4469 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4469 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4469 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4469 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2676 -0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2676 -0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1613 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1613 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8758 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8758 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5903 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5903 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5903 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5903 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8758 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8758 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1613 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1613 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2676 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2676 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3366 1.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3366 1.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1306 -0.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1306 -0.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6966 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6966 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9762 0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9762 0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2991 2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2991 2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6178 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6178 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9678 1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9678 1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6677 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6677 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3489 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3489 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.6278 2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6278 2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6980 2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6980 2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9762 2.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9762 2.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6835 2.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6835 2.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5809 0.8501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5809 0.8501 0.0000 O 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 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 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFAGS0016 | + | ID FL3FFAGS0016 |
| − | KNApSAcK_ID C00013645 | + | KNApSAcK_ID C00013645 |
| − | NAME Isoscutellarein 4'-methyl ether 8-glucoside;Takakin 8-O-beta-D-glucoside;8-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Isoscutellarein 4'-methyl ether 8-glucoside;Takakin 8-O-beta-D-glucoside;8-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 197019-92-4 | + | CAS_RN 197019-92-4 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES Oc(c31)cc(c(OC(O4)C(O)C(C(C(CO)4)O)O)c1OC(=CC3=O)c(c2)ccc(c2)OC)O | + | SMILES Oc(c31)cc(c(OC(O4)C(O)C(C(C(CO)4)O)O)c1OC(=CC3=O)c(c2)ccc(c2)OC)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.4110 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4110 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9821 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9821 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2676 -1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4469 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4469 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2676 -0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1613 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8758 -0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5903 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5903 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8758 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1613 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2676 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3366 1.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1306 -0.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 0.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9762 0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2991 2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6178 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9678 1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6677 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3489 1.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9988 1.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6278 2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6980 2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9762 2.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6835 2.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5809 0.8501 0.0000 O 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
14 19 1 0 0 0 0
20 1 1 0 0 0 0
6 21 1 0 0 0 0
19 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 8
ID FL3FFAGS0016
KNApSAcK_ID C00013645
NAME Isoscutellarein 4'-methyl ether 8-glucoside;Takakin 8-O-beta-D-glucoside;8-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 197019-92-4
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES Oc(c31)cc(c(OC(O4)C(O)C(C(C(CO)4)O)O)c1OC(=CC3=O)c(c2)ccc(c2)OC)O
M END
