Mol:FL5FECGSS001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.4029 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4029 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6884 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6884 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6884 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6884 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4029 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4029 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1174 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1174 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1174 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1174 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9739 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9739 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2595 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2595 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4550 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4550 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4550 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4550 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2595 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2595 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9739 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9739 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1695 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1695 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8839 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8839 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8839 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8839 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1695 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1695 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2595 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2595 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5984 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5984 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6884 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6884 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1695 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1695 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8318 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8318 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4029 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4029 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5450 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5450 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2464 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2464 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3121 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3121 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2839 0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2839 0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8318 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8318 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2839 0.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2839 0.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2839 -0.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2839 -0.3529 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 2 0 0 0 0 | + | 26 28 2 0 0 0 0 |
| − | 26 29 2 0 0 0 0 | + | 26 29 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGSS001 | + | ID FL5FECGSS001 |
| − | KNApSAcK_ID C00013955 | + | KNApSAcK_ID C00013955 |
| − | NAME Axillarin 7-sulfate;Quercetagetin 3,6-dimethyl ether 7-sulfate;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-7-(sulfooxy)-4H-1-benzopyran-4-one | + | NAME Axillarin 7-sulfate;Quercetagetin 3,6-dimethyl ether 7-sulfate;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-7-(sulfooxy)-4H-1-benzopyran-4-one |
| − | CAS_RN 737749-32-5 | + | CAS_RN 737749-32-5 |
| − | FORMULA C17H14O11S | + | FORMULA C17H14O11S |
| − | EXACTMASS 426.02568198 | + | EXACTMASS 426.02568198 |
| − | AVERAGEMASS 426.35246000000006 | + | AVERAGEMASS 426.35246000000006 |
| − | SMILES COC(C(=O)2)=C(Oc(c3)c2c(O)c(OC)c(OS(O)(=O)=O)3)c(c1)cc(O)c(O)c1 | + | SMILES COC(C(=O)2)=C(Oc(c3)c2c(O)c(OC)c(OS(O)(=O)=O)3)c(c1)cc(O)c(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
2.4029 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4029 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4550 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4550 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9739 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1695 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8839 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8839 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1695 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2595 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5984 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1695 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8318 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4029 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5450 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2464 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3121 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2839 0.2062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.8318 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2839 0.7539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2839 -0.3529 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
19 25 1 0 0 0 0
18 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 2 0 0 0 0
26 29 2 0 0 0 0
S SKP 8
ID FL5FECGSS001
KNApSAcK_ID C00013955
NAME Axillarin 7-sulfate;Quercetagetin 3,6-dimethyl ether 7-sulfate;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-7-(sulfooxy)-4H-1-benzopyran-4-one
CAS_RN 737749-32-5
FORMULA C17H14O11S
EXACTMASS 426.02568198
AVERAGEMASS 426.35246000000006
SMILES COC(C(=O)2)=C(Oc(c3)c2c(O)c(OC)c(OS(O)(=O)=O)3)c(c1)cc(O)c(O)c1
M END
