Mol:FL2FCBNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.4976 -0.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4919 -1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0633 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7809 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3398 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3657 -1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 -0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4995 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7853 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3398 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2121 -0.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 1.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9283 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7809 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4965 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4965 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2112 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7823 2.4748 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 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 18 20 1 0 0 0 0 21 14 1 0 0 0 0 21 22 1 0 0 0 0 6 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 FL2FCBNI0001 KNApSAcK_ID C00014162 NAME Flowerine;5-Hydroxy-7,4'-dimethoxy-8-prenylflavanone CAS_RN 70872-28-5 FORMULA C22H24O5 EXACTMASS 368.162373878 AVERAGEMASS 368.42296000000005 SMILES c(c1)c(ccc1C(O3)CC(=O)c(c23)c(O)cc(c2CC=C(C)C)OC)OC M END