Mol:FL3FGCNS0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1490 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1490 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1490 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1490 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8635 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8635 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5780 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5780 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5780 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5780 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8635 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8635 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4346 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4346 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2799 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2799 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2799 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2799 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4346 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4346 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9944 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9944 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7088 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7088 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4233 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4233 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4233 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4233 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7088 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7088 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9943 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9943 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4346 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4346 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1378 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1378 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1378 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1378 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1993 -0.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1993 -0.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2152 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2152 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8635 -1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8635 -1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8635 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8635 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8197 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8197 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8522 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8522 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8522 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8522 0.2063 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 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 FL3FGCNS0017 | + | ID FL3FGCNS0017 |
| − | KNApSAcK_ID C00013337 | + | KNApSAcK_ID C00013337 |
| − | NAME 5,8,4'-Trihydroxy-6,7,3'-trimethoxyflavone;Isothymonin | + | NAME 5,8,4'-Trihydroxy-6,7,3'-trimethoxyflavone;Isothymonin |
| − | CAS_RN 99615-01-7 | + | CAS_RN 99615-01-7 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES O(C(c(c3)cc(OC)c(O)c3)=2)c(c1O)c(C(=O)C2)c(c(c1OC)OC)O | + | SMILES O(C(c(c3)cc(OC)c(O)c3)=2)c(c1O)c(C(=O)C2)c(c(c1OC)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.1490 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1490 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8635 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8635 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4346 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2799 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2799 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4346 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9944 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7088 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4233 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4233 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7088 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9943 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4346 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1378 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1378 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1993 -0.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2152 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8635 -1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8635 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8197 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8522 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8522 0.2063 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
1 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 2 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
14 18 1 0 0 0 0
13 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
6 22 1 0 0 0 0
3 23 1 0 0 0 0
20 24 1 0 0 0 0
19 25 1 0 0 0 0
21 26 1 0 0 0 0
S SKP 8
ID FL3FGCNS0017
KNApSAcK_ID C00013337
NAME 5,8,4'-Trihydroxy-6,7,3'-trimethoxyflavone;Isothymonin
CAS_RN 99615-01-7
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES O(C(c(c3)cc(OC)c(O)c3)=2)c(c1O)c(C(=O)C2)c(c(c1OC)OC)O
M END
