Mol:FL5FAANSS005
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 |
| − | 1.1286 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1286 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 0.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 0.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 -1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 -1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1582 0.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1582 0.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0917 -1.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0917 -1.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1582 1.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1582 1.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 -1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 -1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7234 1.2419 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7234 1.2419 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3102 1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3102 1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1023 1.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1023 1.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7261 1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7261 1.8461 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 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANSS005 | + | ID FL5FAANSS005 |
| − | KNApSAcK_ID C00013808 | + | KNApSAcK_ID C00013808 |
| − | NAME Kaempferol 8-C-sulfate;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-sulfonic acid | + | NAME Kaempferol 8-C-sulfate;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-sulfonic acid |
| − | CAS_RN 760157-61-7 | + | CAS_RN 760157-61-7 |
| − | FORMULA C15H10O9S | + | FORMULA C15H10O9S |
| − | EXACTMASS 366.00455260800004 | + | EXACTMASS 366.00455260800004 |
| − | AVERAGEMASS 366.30050000000006 | + | AVERAGEMASS 366.30050000000006 |
| − | SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c1c(c(O)c2)S(O)(=O)=O | + | SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c1c(c(O)c2)S(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/
25 27 0 0 0 0 0 0 0 0999 V2000
1.1286 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 1.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 0.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 0.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -1.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 -1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 0.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0917 -1.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 1.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 -1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7234 1.2419 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.3102 1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1023 1.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7261 1.8461 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
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 2 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
13 22 1 0 0 0 0
S SKP 8
ID FL5FAANSS005
KNApSAcK_ID C00013808
NAME Kaempferol 8-C-sulfate;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-sulfonic acid
CAS_RN 760157-61-7
FORMULA C15H10O9S
EXACTMASS 366.00455260800004
AVERAGEMASS 366.30050000000006
SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c1c(c(O)c2)S(O)(=O)=O
M END
