Mol:FL2F1ANI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.1306 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -1.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3514 1.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 -0.4925 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 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 7 17 2 0 0 0 0 18 1 1 0 0 0 0 14 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 S SKP 8 ID FL2F1ANI0006 KNApSAcK_ID C00008247 NAME Bavachin CAS_RN 19879-32-4 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES Oc(c1)ccc(C(C3)Oc(c2C(=O)3)cc(O)c(c2)CC=C(C)C)c1 M END