Mol:FL3FACNP0002
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8352 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8352 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8352 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8352 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5496 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5496 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2641 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2641 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2641 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2641 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5496 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5496 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1207 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1207 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4062 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4062 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4062 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4062 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1207 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1207 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3082 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3082 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0227 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0227 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7372 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7372 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7372 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7372 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0227 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0227 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3082 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3082 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1207 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1207 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5496 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5496 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4516 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4516 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1661 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1661 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1661 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1661 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4516 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4516 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9786 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9786 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4483 1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4483 1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0227 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0227 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9786 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9786 0.2062 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 |
| − | 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 4 26 1 0 0 0 0 | + | 4 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACNP0002 | + | ID FL3FACNP0002 |
| − | KNApSAcK_ID C00013436 | + | KNApSAcK_ID C00013436 |
| − | NAME Yinyanghuo E; 5,7-Dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one | + | NAME Yinyanghuo E; 5,7-Dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one |
| − | CAS_RN 174286-26-1 | + | CAS_RN 174286-26-1 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)C=C(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)O1 | + | SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)C=C(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)O1 |
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 29 0 0 0 0 0 0 0 0999 V2000
-1.8352 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8352 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5496 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5496 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4062 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4062 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3082 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0227 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7372 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7372 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0227 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3082 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5496 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4516 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1661 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1661 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4516 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4483 1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0227 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9786 0.2062 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
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
6 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 14 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
15 25 1 0 0 0 0
4 26 1 0 0 0 0
S SKP 8
ID FL3FACNP0002
KNApSAcK_ID C00013436
NAME Yinyanghuo E; 5,7-Dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one
CAS_RN 174286-26-1
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)C=C(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)O1
M END
