Mol:FL6FCANM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -2.0624 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 0.1513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3935 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9198 1.6360 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 6 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -2.4197 0.77 S SKP 8 ID FL6FCANM0001 KNApSAcK_ID C00008780 NAME 5,4'-Dihydroxy-7'-methoxy-8-methylflavan CAS_RN 84638-52-8 FORMULA C17H18O4 EXACTMASS 286.120509064 AVERAGEMASS 286.32241999999997 SMILES COc(c1)c(C)c(O2)c(CC[C@H]2c(c3)ccc(O)c3)c(O)1 M END