Mol:FL3FALNP0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -0.3082 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4483 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5496 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 3.0937 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 17 2 0 0 0 0 16 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 5 15 2 0 0 0 0 17 16 1 0 0 0 0 4 18 1 0 0 0 0 12 19 1 0 0 0 0 10 20 1 0 0 0 0 6 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 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 16 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 13 32 1 0 0 0 0 3 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 S SKP 8 ID FL3FALNP0018 KNApSAcK_ID C00013460 NAME Heterophyllin CAS_RN - FORMULA C30H32O7 EXACTMASS 504.214803378 AVERAGEMASS 504.57088 SMILES c(c1O)(C(O2)=C(CC=C(C)C)C(c(c3O)c2c(CC=C(C)C)c(O4)c3C=CC4(C)C)=O)cc(O)c(O)c1 M END