Chem
J-GLOBAL ID：200907036603392056   Nikkaji number：J2.682.783C

Capensinidin

カペンシニジン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H17O6[O+]
Molecular formula furigana： C18-H17-O7
Molecular weight： 345.326
InChI： InChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-11(13)8-12(20)18(25-14)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1
InChI key： GYLVPQXQQPMCKK-UHFFFAOYSA-O
SMILES： COc1cc(cc(OC)c1O)c1[o+]c2cc(O)cc(OC)c2cc1O
Systematic name  (3)：
  • 2-(3,5-ジメトキシ-4-ヒドロキシフェニル)-3,7-ジヒドロキシ-5-メトキシクロメニリウム
  • 3,7-ジヒドロキシ-2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-5-メトキシ-1λ4-クロメン-1-イリウム
  • 3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-1λ4-chromen-1-ylium
Other name (3)：
  • 2-(3,5-Dimethoxy-4-hydroxyphenyl)-3,7-dihydroxy-5-methoxychromenylium
  • カペンシニジン
  • Capensinidin
KEGG COMPOUND： C08595
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