Mol:FL4DADNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.8794 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8794 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2041 -0.8247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2041 -0.2233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3167 0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 -1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 -1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7882 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7882 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7402 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 0.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2381 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3915 1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 1.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 2.4884 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 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 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 8 20 1 1 0 0 0 6 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 17 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 1.5711 1.5811 S SKP 8 ID FL4DADNI0001 KNApSAcK_ID C00008640 NAME 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone CAS_RN 104696-10-8 FORMULA C21H22O7 EXACTMASS 386.136553058 AVERAGEMASS 386.39518 SMILES c(c12)(cc(O)c(c1O[C@H](c(c3)cc(c(O)c3)OC)[C@H](C2=O)O)CC=C(C)C)O M END