Mol:FL3FA9NCN002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -0.1001 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2098 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 0.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -1.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -0.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3041 0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6145 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2924 -0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7936 -0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8485 -1.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 -1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 -0.0309 0.0000 H 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 2 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 12 1 0 0 0 0 24 25 1 0 0 0 0 12 26 1 4 0 0 0 S SKP 8 ID FL3FA9NCN002 KNApSAcK_ID C00002346 NAME Isoficine CAS_RN 2255-62-1 FORMULA C20H19NO4 EXACTMASS 337.131408101 AVERAGEMASS 337.3692 SMILES c(C(=O)4)(c(OC(=C4)c(c3)cccc3)1)c(c(C(C2)(N(CC2)C)[H])c(O)c1)O M END