Mol:FL6F1CNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.1291 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1291 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1273 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1273 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6277 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1273 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6292 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 -0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 0.6201 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 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 0 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 9 17 1 1 0 0 0 1 18 1 0 0 0 0 13 19 1 0 0 0 0 6 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SBV 1 23 -6.7371 4.1099 S SKP 8 ID FL6F1CNM0001 KNApSAcK_ID C00000952 NAME 7,3'-Dihydroxy-4'-methoxy-8-methylflavan CAS_RN 87733-81-1 FORMULA C17H18O4 EXACTMASS 286.120509064 AVERAGEMASS 286.32241999999997 SMILES COc(c3)c(O)cc(c3)C([H])(C1)Oc(c(C)2)c(ccc(O)2)C1 M END