Mol:FL1DHYNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.7040 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0615 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 -0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 -0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6884 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 -0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 -0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8732 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -0.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -0.8868 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 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 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 2 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SBV 1 22 -6.4481 3.2633 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SBV 2 24 -6.4576 3.2687 S SKP 8 ID FL1DHYNF0001 KNApSAcK_ID C00007961 NAME Ovalitenin B CAS_RN 64280-21-3 FORMULA C19H18O4 EXACTMASS 310.120509064 AVERAGEMASS 310.34382 SMILES c(c23)(occ3)ccc(c2OC)C(=O)CC(OC)c(c1)cccc1 M END