Mol:FL4DAANI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.8429 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -1.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 -0.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8424 0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8424 1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8424 2.0232 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 3 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 4 1 0 0 0 0 9 11 1 6 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 S SKP 8 ID FL4DAANI0004 KNApSAcK_ID C00008617 NAME 3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone CAS_RN 124901-83-3 FORMULA C20H22O7 EXACTMASS 374.136553058 AVERAGEMASS 374.38448000000005 SMILES C(C)(C)(O)CCc(c13)c(O)cc(c1C(C(O)C(O3)c(c2)ccc(O)c2)=O)O M END