Mol:FL5FADNSS002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.3200 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9052 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9052 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3489 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0283 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0283 1.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2787 -1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 -1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 0.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 0.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4956 0.1051 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4956 0.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4956 -0.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 2.5883 0.0000 C 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 8 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 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 1 22 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 2.3213 1.6952 S SKP 8 ID FL5FADNSS002 KNApSAcK_ID C00004969 NAME Isorhamnetin 7-O-sulfate CAS_RN 56857-60-4 FORMULA C16H12O10S EXACTMASS 396.015117294 AVERAGEMASS 396.32648000000006 SMILES COc(c(O)3)cc(cc3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(c2)OS(O)(=O)=O)1 M END