Mol:FL4DF9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.0129 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4205 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4169 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8503 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1295 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5593 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2747 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9883 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9832 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2681 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7274 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9506 1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7594 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2962 -1.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2962 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9883 -0.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 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 6 1 0 0 0 0 9 11 1 6 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 4 18 1 0 0 0 0 8 20 1 1 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 S SKP 8 ID FL4DF9NI0001 KNApSAcK_ID C00014380 NAME Dioclenol;3,5,7-Trihydroxy-8-methoxy-6-prenylflavanone CAS_RN 197379-44-5 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES COc(c31)c(c(CC=C(C)C)c(c1C(C(O)C(O3)c(c2)cccc2)=O)O)O M END