Mol:FL2FALNP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.7306 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0617 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4946 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4946 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0617 0.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6177 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1847 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1847 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6177 1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0617 -1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 -1.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 0.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 0.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6353 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8428 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3977 -0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9526 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3977 -1.5628 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 14 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 16 26 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL2FALNP0004 KNApSAcK_ID C00008332 NAME Cudraflavanone A CAS_RN 87402-92-4 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c4)(c3c(c(CC=C(C)C)c4O)O)OC(CC3=O)c(c2)c(cc(c21)OC(C)(C)C=C1)O M END