Chem
J-GLOBAL ID：200907061438376274   Nikkaji number：J82.063F

Diferulic acid

ジフェルラ酸
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： C20H20O8
Molecular formula furigana： C20-H20-O8
Molecular weight： 388.372
InChI： InChI=1S/C20H20O8/c1-27-15-5-9(3-4-13(15)21)18-11-6-14(22)16(28-2)7-10(11)12(8-17(23)24)19(18)20(25)26/h3-7,12,18-19,21-22H,8H2,1-2H3,(H,23,24)(H,25,26)
InChI key： XSMLGRBBXJBHMI-UHFFFAOYSA-N
SMILES： COc1cc2C(CC(=O)O)C(C(c2cc1O)c1ccc(O)c(OC)c1)C(=O)O
Systematic name  (3)：
  • 2-カルボキシ-2,3-ジヒドロ-5-ヒドロキシ-3-(4-ヒドロキシ-3-メトキシフェニル)-6-メトキシ-1H-インデン-1-酢酸
  • 1-(カルボキシメチル)-5-ヒドロキシ-3-(4-ヒドロキシ-3-メトキシフェニル)-6-メトキシ-2,3-ジヒドロ-1H-インデン-2-カルボン酸
  • 1-(carboxymethyl)-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-indene-2-carboxylic acid
Other name (3)：
  • ジフェルラ酸
  • Diferulic acid
  • 2-Carboxy-2,3-dihydro-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1H-indene-1-acetic acid
CAS registry number： 436-96-4
KEGG COMPOUND： C10446
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