Mol:FL1CCANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 27 0 0 0 0 0 0 0 0999 V2000 -2.5005 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7863 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2153 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9297 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9297 0.4127 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 6 7 1 0 0 0 0 2 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 10 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 3 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 8 26 1 0 0 0 0 S SKP 8 ID FL1CCANI0001 KNApSAcK_ID C00014475 NAME Xanthogalenol;3'-Prenyl-4,2',6'-trihydroxy-4'-methoxychalcone CAS_RN 265659-35-6 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1O)c(cc(c(CC=C(C)C)1)OC)O M END