Mol:FL4DBANM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.7799 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2173 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3036 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3036 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2173 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2173 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3003 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -0.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3003 -0.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7133 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9989 -1.3454 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 9 11 1 1 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 6 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SBV 1 24 -8.4439 4.5248 S SKP 8 ID FL4DBANM0001 KNApSAcK_ID C00008593 NAME 3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone CAS_RN 78417-24-0 FORMULA C17H16O6 EXACTMASS 316.094688244 AVERAGEMASS 316.30534 SMILES COc(c(C)3)c(C(=O)1)c(cc(O)3)OC(c(c2)ccc(O)c2)C(O)1 M END