Mol:FLIG1LNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -2.5987 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0424 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4861 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4861 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0424 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 -0.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7774 -1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 -0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 -0.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7774 0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 -0.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -1.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 0.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 1.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1548 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 1.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0424 -0.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 -1.8363 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 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 11 2 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 9 20 1 0 0 0 0 20 16 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 3 26 1 0 0 0 0 13 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 30 M SMT 1 OCH3 M SBV 1 30 -6.7451 4.0348 S SKP 8 ID FLIG1LNI0001 KNApSAcK_ID C00009531 NAME Lisetin CAS_RN 6502-79-0 FORMULA C21H18O7 EXACTMASS 382.10525293 AVERAGEMASS 382.36342 SMILES c(c4OC)c(c3c(c4O)CC=C(C)C)c(c2o3)C(=O)c(c(O2)1)c(cc(O)c1)O M END