Mol:FL2FECNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2941 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 1.3134 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 -2.3202 0.4474 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 1.6687 1.7079 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -1.8431 -1.2954 S SKP 8 ID FL2FECNS0002 KNApSAcK_ID C00008309 NAME Agestricin D CAS_RN 85563-76-4 FORMULA C18H18O7 EXACTMASS 346.10525293 AVERAGEMASS 346.33132 SMILES O(C(c(c3)cc(OC)c(O)c3)2)c(c(C(=O)C2)1)cc(c(c1OC)O)OC M END