Mol:FLII1LNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.5527 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4401 0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 -0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2286 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 0.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2286 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 -1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -1.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 -0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9585 -1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 -1.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3821 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9585 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 0.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 1 11 1 0 0 0 0 9 12 2 0 0 0 0 12 10 1 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 9 1 0 0 0 0 14 17 1 0 0 0 0 3 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 1.0936 0.4148 S SKP 8 ID FLII1LNI0001 KNApSAcK_ID C00010076 NAME Licocoumarone CAS_RN 118524-14-4 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES C(c(c3OC)c(O)cc(c31)oc(c(c2)c(O)cc(O)c2)c1)C=C(C)C M END