Mol:FL2F1ANM0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.3202 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6513 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1775 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 0.9926 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 2 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 2.1618 1.4051 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.6775 0.7209 S SKP 8 ID FL2F1ANM0001 KNApSAcK_ID C00008199 NAME 7,4'-Dimethoxy-6-C-methylflavanone CAS_RN 88795-40-8 FORMULA C18H18O4 EXACTMASS 298.120509064 AVERAGEMASS 298.33312 SMILES C(c12)(=O)CC(c(c3)ccc(OC)c3)Oc1cc(OC)c(C)c2 M END
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