Mol:FL7ABINS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.4343 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 -0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 -1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 0.2095 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -2.1455 0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8599 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1419 -2.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8599 -0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8531 -2.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -1.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 0.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4308 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1488 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4377 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 2.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 1.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5744 0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7265 2.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 2 5 1 0 2 6 1 0 3 7 2 0 3 8 1 0 4 9 2 0 5 10 2 0 6 11 2 0 8 12 1 0 9 13 1 0 10 14 1 0 11 15 1 0 14 16 2 0 14 17 1 0 16 18 1 0 17 19 2 0 18 20 2 0 18 21 1 0 19 22 1 0 20 23 1 0 21 24 1 0 22 25 1 0 7 11 1 0 9 10 1 0 19 20 1 0 M CHG 1 5 1 S SKP 7 ID FL7ABINS0001 NAME Capensinidin CAS_RN 19077-85-1 FORMULA C18H17O7 EXACTMASS 345.097427898 AVERAGEMASS SMILES AVERAGEMASS 345.32338000000004 SMILES COc(c1)c(O)c(OC)cc1c([o+1]2)c(O)cc(c(OC)3)c(cc(O)c3)2 M END