Mol:FL3FCBNM0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 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 -1.7639 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 1.1146 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 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 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 3 18 1 0 0 0 0 2 19 1 0 0 0 0 6 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 2.1618 1.4543 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -2.6775 0.77 S SKP 8 ID FL3FCBNM0002 KNApSAcK_ID C00003991 NAME Eucalyptin;4',7-Dimethoxy-6,8-dimethyl-5-hydroxyflavone;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one CAS_RN 3122-88-1 FORMULA C19H18O5 EXACTMASS 326.115423686 AVERAGEMASS 326.34322000000003 SMILES c(C(O2)=CC(c(c3O)c2c(c(c3C)OC)C)=O)(c1)ccc(OC)c1 M END