Mol:FL2FADNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.9505 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9496 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9496 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 0.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4491 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5514 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4506 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -1.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 -0.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 -0.5789 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 0 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 9 17 1 1 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 7 21 2 0 0 0 0 13 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 SVB 1 24 1.7361 0.2148 S SKP 8 ID FL2FADNS0001 KNApSAcK_ID C00000969 NAME Homoeriodictyol CAS_RN 446-71-9 FORMULA C16H14O6 EXACTMASS 302.07903818 AVERAGEMASS 302.27876000000003 SMILES COc(c(O)3)cc(cc3)[C@]([H])(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 M END