Mol:FL3FEANS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.3202 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1776 1.6360 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 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 -2.6775 0.77 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 2.1618 1.4543 S SKP 8 ID FL3FEANS0007 KNApSAcK_ID C00003839 NAME Ladanein CAS_RN 10176-71-3 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c(OC)1 M END