Mol:FLIB1LNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.9669 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2583 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 -1.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8703 -2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7361 -1.6763 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 5 1 0 0 0 0 8 11 1 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 16 1 0 0 0 0 16 11 2 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 12 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 2.2409 -0.8826 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 0.0999 -0.6069 S SKP 8 ID FLIB1LNF0001 KNApSAcK_ID C00009547 NAME Neoraunone CAS_RN 76165-16-7 FORMULA C19H16O5 EXACTMASS 324.099773622 AVERAGEMASS 324.32734 SMILES c(c(C(C4=O)COc(c43)cc(c2c3)occ2)1)(OC)cc(OC)cc1 M END