Chem
J-GLOBAL ID：200907010165210340   Nikkaji number：J679.239A

12-Deoxyaklanonic acid

12-デオキシアクラノン酸
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： C21H18O7
Molecular formula furigana： C21-H18-O7
Molecular weight： 382.368
InChI： InChI=1S/C21H18O7/c1-2-13(22)9-15(24)18-12(8-16(25)26)7-11-6-10-4-3-5-14(23)17(10)20(27)19(11)21(18)28/h3-5,7,23,28H,2,6,8-9H2,1H3,(H,25,26)
InChI key： GOOWFUBMXUJYPR-UHFFFAOYSA-N
SMILES： CCC(=O)CC(=O)c1c(CC(=O)O)cc2Cc3cccc(O)c3C(=O)c2c1O
Systematic name  (3)：
  • 3-(1,3-ジオキソペンチル)-4,5-ジヒドロキシ-10-オキソ-9,10-ジヒドロアントラセン-2-酢酸
  • 2-[4,5-ジヒドロキシ-10-オキソ-3-(3-オキソペンタノイル)-9,10-ジヒドロアントラセン-2-イル]酢酸
  • 2-[4,5-dihydroxy-10-oxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid
Other name (3)：
  • 12-デオキシアクラノン酸
  • 12-Deoxyaklanonic acid
  • 3-(1,3-Dioxopentyl)-4,5-dihydroxy-10-oxo-9,10-dihydroanthracene-2-acetic acid
KEGG COMPOUND： C12420
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