Mol:FL1CHYNF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.2339 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5474 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5474 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 -0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2224 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2224 0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 -0.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 11 2 0 0 0 0 11 12 1 0 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 10 1 0 0 0 0 7 16 2 0 0 0 0 9 17 2 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 13 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 2 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SBV 1 27 -6.2962 3.7563 S SKP 8 ID FL1CHYNF0002 KNApSAcK_ID C00007017 NAME Ovalitenone CAS_RN 64280-22-4 FORMULA C19H14O6 EXACTMASS 338.07903818 AVERAGEMASS 338.31086000000005 SMILES c(c43)(OCO4)ccc(c3)C(=O)CC(c(c2OC)ccc(c21)occ1)=O M END