Mol:FL1CHYNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 26 0 0 0 0 0 0 0 0999 V2000 -2.8212 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8212 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1523 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0399 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1523 -0.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0399 -0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3773 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 -0.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -0.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7057 -0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7057 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3773 -0.4480 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 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 9 17 2 0 0 0 0 1 18 1 0 0 0 0 13 19 1 0 0 0 0 3 20 1 0 0 0 0 12 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 S SKP 8 ID FL1CHYNI0003 KNApSAcK_ID C00007005 NAME Kanzonol A CAS_RN 155233-18-4 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES Oc(c1)cc(O)c(C(CC(=O)c(c2)ccc(O)c2CC=C(C)C)=O)c1 M END