Mol:FLIDBBNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 31 0 0 0 0 0 0 0 0999 V2000 -1.6740 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5614 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 1.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -0.0974 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5512 0.2238 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5512 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1073 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1073 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2969 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2969 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7021 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 -0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7866 1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2483 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5541 -0.2579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8396 -0.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1629 -1.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -1.7840 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 1 18 1 0 0 0 0 18 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 19 22 1 0 0 0 0 19 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 2.5339 -0.9903 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -1.5541 -0.2579 S SKP 8 ID FLIDBBNP0001 KNApSAcK_ID C00009657 NAME Edulenane;Edulaan CAS_RN 53734-77-3 FORMULA C22H22O5 EXACTMASS 366.146723814 AVERAGEMASS 366.40708000000006 SMILES c(c5)c(C41)c(cc5OC)OC1c(c2OC)c(OC4)cc(O3)c2C=CC3(C)C M END