Mol:FL1B1CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -1.2767 0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7065 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7065 0.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 -0.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1111 0.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0374 -0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5634 -0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 -0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 -1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 -0.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -0.4881 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SBV 1 23 -9.6259 5.8451 S SKP 8 ID FL1B1CNS0002 KNApSAcK_ID C00008069 NAME 2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone CAS_RN 93012-79-4 FORMULA C16H14O6 EXACTMASS 302.07903818 AVERAGEMASS 302.27876000000003 SMILES COc(c3)c(O)cc(c3)CC(O)(O1)C(=O)c(c2)c(cc(O)c2)1 M END