Mol:FL64A9NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.3924 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3924 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8361 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2798 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2798 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8361 0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8328 -0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8328 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 -0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 0.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 0.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8361 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3924 1.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5229 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1599 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2725 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -1.5561 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 9 11 1 6 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 6 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 1 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 7 23 1 1 0 0 0 23 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 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 26 M SMT 1 OCH3 M SBV 1 26 -8.5897 4.0481 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 28 M SMT 2 OCH3 M SBV 2 28 -8.5897 4.0481 S SKP 8 ID FL64A9NP0002 KNApSAcK_ID C00008987 NAME Methylhildgardtol B CAS_RN 104777-99-3 FORMULA C22H24O4 EXACTMASS 352.167459256 AVERAGEMASS 352.42356 SMILES O(c31)C(c(c4)cccc4)CC(c1c(cc(c32)OC(C=C2)(C)C)OC)OC M END