Mol:FL2F19NI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.5764 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5764 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -0.3386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0137 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0275 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 0.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 1.1461 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 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 -1.9336 0.2801 S SKP 8 ID FL2F19NI0005 KNApSAcK_ID C00008393 NAME Isoderricin A CAS_RN 38965-75-2 FORMULA C21H22O3 EXACTMASS 322.15689456999996 AVERAGEMASS 322.39758 SMILES C(C1)(c(c3)cccc3)Oc(c(CC=C(C)C)2)c(ccc2OC)C(=O)1 M END