Mol:FLIDBANP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.4954 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4954 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 -0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 0.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0697 -0.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 -0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 -1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8819 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0679 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3755 0.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 0.2201 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 13 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 3 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 OCH3 M SBV 1 34 -5.8670 5.2674 S SKP 8 ID FLIDBANP0003 KNApSAcK_ID C00009674 NAME Gangetin CAS_RN 32986-79-1 FORMULA C26H28O5 EXACTMASS 420.193674006 AVERAGEMASS 420.49752 SMILES c(c1)c(C52)c(OC(c(c4OC5)c(c(c3c4)C=CC(O3)(C)C)OC)2)c(c(O)1)CC=C(C)C M END