Mol:FL2FBANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -1.5279 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5093 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 -0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 0.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4591 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 -2.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 0.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7888 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2116 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8449 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5448 1.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 1.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 2.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1289 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 -2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5448 0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 1.4303 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 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 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 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 21 26 1 1 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 19 29 1 0 0 0 0 24 30 1 0 0 0 0 14 31 1 0 0 0 0 S SKP 8 ID FL2FBANI0002 KNApSAcK_ID C00014192 NAME Kushenol U;(2S)-7,4'-Dihydroxy-8-lavandulyl-5-methoxyflavanone CAS_RN 254886-74-3 FORMULA C26H30O5 EXACTMASS 422.20932407 AVERAGEMASS 422.5134 SMILES C(c(c(O)3)c(c(c(c3)OC)1)OC(c(c2)ccc(O)c2)CC(=O)1)C(C(C)=C)CC=C(C)C M END