Mol:FL2FGANS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.4434 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4434 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0144 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0144 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4145 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4145 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1045 0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7511 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4003 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 -0.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6908 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 1.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7511 1.6646 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 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 18 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 21 27 1 0 0 0 0 S SKP 8 ID FL2FGANS0004 KNApSAcK_ID C00014136 NAME (2S)-5,6,7,8,4'-Pentamethoxyflavanone CAS_RN 377090-32-9 FORMULA C20H22O7 EXACTMASS 374.136553058 AVERAGEMASS 374.38448000000005 SMILES O(C)c(c31)c(c(c(OC)c(C(=O)CC(O3)c(c2)ccc(OC)c2)1)OC)OC M END