Mol:FL2F1CNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.5297 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0088 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0088 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5538 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5538 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -1.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 -0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6086 1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6015 1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0088 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5297 1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0506 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0506 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 15 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 6 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 S SKP 8 ID FL2F1CNP0002 KNApSAcK_ID C00008399 NAME 4'-Hydroxyisolonchocarpin CAS_RN 78316-30-0 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)C=CC(C)(C)O2)c1 M END