Mol:FL3FGCNS0016
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7918 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7918 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7918 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7918 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5063 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5063 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2207 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2207 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2207 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2207 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5063 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5063 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0773 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0773 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6371 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6371 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0773 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0773 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3516 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3516 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0661 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0661 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7805 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7805 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7805 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7805 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0660 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0660 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3516 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3516 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0773 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0773 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4950 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4950 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4950 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4950 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8421 -0.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8421 -0.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5063 -1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5063 -1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5063 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5063 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4950 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4950 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4625 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4625 -0.6193 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 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGCNS0016 | + | ID FL3FGCNS0016 |
| − | KNApSAcK_ID C00013336 | + | KNApSAcK_ID C00013336 |
| − | NAME Leucanthogenin;5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME Leucanthogenin;5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 99615-00-6 | + | CAS_RN 99615-00-6 |
| − | FORMULA C17H14O8 | + | FORMULA C17H14O8 |
| − | EXACTMASS 346.068867424 | + | EXACTMASS 346.068867424 |
| − | AVERAGEMASS 346.28826 | + | AVERAGEMASS 346.28826 |
| − | SMILES COc(c(OC)1)c(O)c(O2)c(C(=O)C=C2c(c3)cc(O)c(O)c3)c(O)1 | + | SMILES COc(c(OC)1)c(O)c(O2)c(C(=O)C=C2c(c3)cc(O)c(O)c3)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-0.7918 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7918 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5063 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2207 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2207 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5063 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6371 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3516 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0661 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7805 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7805 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0660 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3516 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4950 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4950 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8421 -0.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5063 -1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5063 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4950 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4625 -0.6193 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
21 24 1 0 0 0 0
20 25 1 0 0 0 0
S SKP 8
ID FL3FGCNS0016
KNApSAcK_ID C00013336
NAME Leucanthogenin;5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 99615-00-6
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c(OC)1)c(O)c(O2)c(C(=O)C=C2c(c3)cc(O)c(O)c3)c(O)1
M END
