Mol:FL3FAANSS001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8470 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8470 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8470 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8470 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3959 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3959 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0552 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0552 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0552 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0552 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3959 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3959 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5062 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5062 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9573 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9573 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9573 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9573 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5062 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5062 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5062 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5062 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4082 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4082 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8679 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8679 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3276 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3276 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3276 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3276 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8679 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8679 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4082 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4082 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2979 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2979 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7872 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7872 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3959 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3959 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1509 0.3258 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1509 0.3258 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1509 0.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1509 0.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1509 -0.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1509 -0.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7872 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7872 0.3258 0.0000 O 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANSS001 | + | ID FL3FAANSS001 |
| − | KNApSAcK_ID C00004197 | + | KNApSAcK_ID C00004197 |
| − | NAME Apigenin 7-sulfate | + | NAME Apigenin 7-sulfate |
| − | CAS_RN 56857-56-8 | + | CAS_RN 56857-56-8 |
| − | FORMULA C15H10O8S | + | FORMULA C15H10O8S |
| − | EXACTMASS 350.00963798600003 | + | EXACTMASS 350.00963798600003 |
| − | AVERAGEMASS 350.3011 | + | AVERAGEMASS 350.3011 |
| − | SMILES Oc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O | + | SMILES Oc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=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/
24 26 0 0 0 0 0 0 0 0999 V2000
-0.8470 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8470 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3959 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0552 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0552 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3959 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5062 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9573 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9573 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5062 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5062 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8679 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3276 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3276 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8679 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2979 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7872 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3959 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1509 0.3258 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.1509 0.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1509 -0.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7872 0.3258 0.0000 O 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
20 3 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
S SKP 8
ID FL3FAANSS001
KNApSAcK_ID C00004197
NAME Apigenin 7-sulfate
CAS_RN 56857-56-8
FORMULA C15H10O8S
EXACTMASS 350.00963798600003
AVERAGEMASS 350.3011
SMILES Oc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O
M END
