Mol:FL3F1ANF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -2.0603 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3914 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3914 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3914 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6712 0.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 -0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6712 -0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 1.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 0.9403 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 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 15 21 1 0 0 0 0 21 22 1 0 0 0 0 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 SBV 1 24 -7.2158 8.1395 S SKP 8 ID FL3F1ANF0001 KNApSAcK_ID C00004050 NAME Glabone CAS_RN 113807-95-7 FORMULA C18H12O4 EXACTMASS 292.073558872 AVERAGEMASS 292.28548 SMILES c(C(=C4)Oc(c(C(=O)4)3)cc(c2c3)occ2)(c1)ccc(OC)c1 M END