Mol:FL5FACNSS001
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
− | -1.9626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4063 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8500 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8500 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4063 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2937 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2937 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2937 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8187 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3857 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9527 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9527 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9527 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9527 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3857 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8187 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4063 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5195 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5195 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5195 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5195 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0387 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0387 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8187 -1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 -1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3993 -1.0981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3993 -1.0981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3993 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3993 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3993 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3993 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3857 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 1.7816 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 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
− | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACNSS001 | + | ID FL5FACNSS001 |
− | KNApSAcK_ID C00004956 | + | KNApSAcK_ID C00004956 |
− | NAME Quercetin 3-O-sulfate | + | NAME Quercetin 3-O-sulfate |
− | CAS_RN 60889-05-6 | + | CAS_RN 60889-05-6 |
− | FORMULA C15H10O10S | + | FORMULA C15H10O10S |
− | EXACTMASS 381.99946723 | + | EXACTMASS 381.99946723 |
− | AVERAGEMASS 382.2999 | + | AVERAGEMASS 382.2999 |
− | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2 |
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 28 0 0 0 0 0 0 0 0999 V2000 -1.9626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 -1.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -1.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 -1.0981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 -0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 -1.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 1.7816 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 20 1 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 22 23 1 0 0 0 0 21 23 1 0 0 0 0 8 22 1 0 0 0 0 16 26 1 0 0 0 0 S SKP 8 ID FL5FACNSS001 KNApSAcK_ID C00004956 NAME Quercetin 3-O-sulfate CAS_RN 60889-05-6 FORMULA C15H10O10S EXACTMASS 381.99946723 AVERAGEMASS 382.2999 SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(O)c(O)c2 M END