Mol:FL5FAANSS005
From Metabolomics.JP
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