Mol:FL4DFCNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.9244 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9244 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -0.7709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1591 -0.1695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3618 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2817 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5536 -0.9987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1434 0.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 1.3153 0.0000 C 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 16 18 1 0 0 0 0 15 19 1 0 0 0 0 2 20 1 0 0 0 0 8 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -2.2817 0.4493 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -1.1434 0.694 S SKP 8 ID FL4DFCNS0001 KNApSAcK_ID C00008588 NAME Dihydrogossypetin 7,8-dimethyl ether CAS_RN 151193-57-6 FORMULA C17H16O8 EXACTMASS 348.08451748799996 AVERAGEMASS 348.30413999999996 SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C(O)C1c(c2)cc(O)c(O)c2 M END