Mol:FL5FFCNSS001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
− | -1.8804 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8804 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8804 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8804 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3241 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3241 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7678 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7678 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7678 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7678 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3241 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3241 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2115 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2115 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3448 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3448 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3448 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3448 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2115 0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2115 0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2115 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2115 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9009 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9009 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4679 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4679 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0349 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0349 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0349 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0349 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4679 1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4679 1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9009 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9009 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3235 -1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3235 -1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4921 0.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4921 0.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4473 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4473 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4921 1.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4921 1.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9246 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9246 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2446 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2446 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6053 -1.1283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6053 -1.1283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6053 -0.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6053 -0.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6053 -1.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6053 -1.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3241 0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3241 0.7778 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 |
− | 18 3 1 0 0 0 0 | + | 18 3 1 0 0 0 0 |
− | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
− | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FFCNSS001 | + | ID FL5FFCNSS001 |
− | KNApSAcK_ID C00004987 | + | KNApSAcK_ID C00004987 |
− | NAME Gossypetin 3-O-sulfate | + | NAME Gossypetin 3-O-sulfate |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C15H10O11S | + | FORMULA C15H10O11S |
− | EXACTMASS 397.994381852 | + | EXACTMASS 397.994381852 |
− | AVERAGEMASS 398.2993 | + | AVERAGEMASS 398.2993 |
− | SMILES Oc(c3)c(O)cc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c1c(O)c(O)c2 | + | SMILES Oc(c3)c(O)cc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c1c(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/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.8804 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8804 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2115 -1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2115 0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2115 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 1.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9009 0.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 -1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 0.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4473 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 1.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 -1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 -1.1283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 -0.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 -1.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 0.7778 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 18 3 1 0 0 0 0 19 1 1 0 0 0 0 16 20 1 0 0 0 0 21 15 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 23 24 1 0 0 0 0 22 24 1 0 0 0 0 8 22 1 0 0 0 0 6 27 1 0 0 0 0 S SKP 8 ID FL5FFCNSS001 KNApSAcK_ID C00004987 NAME Gossypetin 3-O-sulfate CAS_RN - FORMULA C15H10O11S EXACTMASS 397.994381852 AVERAGEMASS 398.2993 SMILES Oc(c3)c(O)cc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c1c(O)c(O)c2 M END