Mol:FLIDHXNF0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 31 0 0 0 0 0 0 0 0999 V2000 -1.2700 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 0.0104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9552 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9552 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7009 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7009 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4047 -0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 0.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8809 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8809 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2217 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2217 1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6523 0.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 2 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 30 M SMT 1 OCH3 M SVB 1 30 2.9378 -0.8826 S SKP 8 ID FLIDHXNF0006 KNApSAcK_ID C00009692 NAME 9-O-Methylglyceofuran CAS_RN 78876-29-6 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES c(c(OC)1)cc(C5(O)2)c(OC2c(c4)c(OC5)cc(c43)oc(c3)C(C)(C)O)c1 M END