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