Mol:FLIA1LNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -2.0196 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0081 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0081 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0472 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -1.1571 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 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 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 2 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 12 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 28 M SMT 1 ^OCH3 M SBV 1 28 -6.6487 3.3188 S SKP 8 ID FLIA1LNF0001 KNApSAcK_ID C00009436 NAME Dehydroneotenone CAS_RN 1242-81-5 FORMULA C19H12O6 EXACTMASS 336.063388116 AVERAGEMASS 336.29498 SMILES c(c45)c(c(OC)cc4OCO5)C(C3=O)=COc(c32)cc(c1c2)occ1 M END