Mol:FLIDBANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.4954 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4954 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 -1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3755 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -0.8081 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 14 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 25 26 M SBL 1 1 29 M SMT 1 OCH3 M SBV 1 29 -5.8670 4.2392 S SKP 8 ID FLIDBANP0001 KNApSAcK_ID C00009653 NAME Edulenanol CAS_RN 76165-14-5 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES O(C)c(c41)c(C=5)c(OC(C5)(C)C)cc1OCC(C34)c(c2)c(O3)cc(O)c2 M END