Mol:FL2FDCNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -2.4975 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4975 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 0.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 -0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 -0.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3604 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 0.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 1.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 -1.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1679 0.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8174 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -1.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3574 -1.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 0.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 1.8281 0.0000 O 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 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 14 1 0 0 0 0 S SKP 8 ID FL2FDCNS0001 KNApSAcK_ID C00014128 NAME (2S)-5,7-Dimethoxy-3',4'-methylenedioxyflavanone CAS_RN 610770-50-8 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES O(C(c(c4)cc(c3c4)OCO3)2)c(c(C(=O)C2)1)cc(OC)cc1OC M END