Mol:FL6F1LNM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 26 0 0 0 0 0 0 0 0999 V2000 -2.1833 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7394 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0312 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -1.4544 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 1 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 16 21 1 0 0 0 0 6 22 1 0 0 0 0 3 23 1 0 0 0 0 S SKP 8 ID FL6F1LNM0002 KNApSAcK_ID C00008776 NAME 7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan CAS_RN 75679-60-6 FORMULA C18H18O5 EXACTMASS 314.115423686 AVERAGEMASS 314.33252 SMILES O(C(c(c(O)4)cc(c3c4)OCO3)2)c(c(C)1)c(CC2)c(C)cc1O M END