Mol:FL3FAANP0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.7862 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 2.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9296 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 -2.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -0.4118 0.0000 O 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 11 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 12 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 4 30 1 0 0 0 0 17 31 1 0 0 0 0 S SKP 8 ID FL3FAANP0009 KNApSAcK_ID C00013456 NAME Yinyanghuo A;(-)-5,7-Dihydroxy-2-[8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl]-4H-1-benzopyran-4-one CAS_RN 174391-72-1 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES C(=O)(C=2)c(c(OC2c(c3)cc(CC(C(C)=C)O)c(O4)c(C=CC4(C)C)3)1)c(cc(O)c1)O M END