Mol:FL63BANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.8645 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8645 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -0.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -0.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7115 -1.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 0.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4025 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 -1.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0569 -1.8380 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 1 11 1 0 0 0 0 9 12 1 6 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 12 1 0 0 0 0 8 18 1 1 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SBV 1 27 -7.0907 5.2410 S SKP 8 ID FL63BANI0001 KNApSAcK_ID C00008907 NAME 8-Prenylafzelechin 5-methyl ether CAS_RN 108803-54-9 FORMULA C21H24O5 EXACTMASS 356.162373878 AVERAGEMASS 356.41226 SMILES O(C(c(c3)ccc(O)c3)1)c(c(CC=C(C)C)2)c(c(cc(O)2)OC)CC1O M END