Mol:FLIB1LNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2583 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 -0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0999 -0.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8954 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7361 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -2.8654 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 13 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 0.9918 -1.0369 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 -0.7282 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 -0.4525 S SKP 8 ID FLIB1LNF0003 KNApSAcK_ID C00009549 NAME Nepseudin CAS_RN 20848-57-1 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c4)(c1)c(oc4)cc(O3)c(C(=O)C(C3)c(c2OC)ccc(c2OC)OC)1 M END