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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > p-quinones > 2-hydroxy-5-methoxy-3-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > quinone > benzoquinones > 2-hydroxy-5-methoxy-3-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione

Preferred term

2-hydroxy-5-methoxy-3-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C11H12O5

inchi

  • InChI=1S/C11H12O5/c1-5(6(2)12)9-10(14)7(13)4-8(16-3)11(9)15/h4-5,14H,1-3H3/t5-/m0/s1

inchikey

  • DYVJOSMIBABKSI-YFKPBYRVSA-N

mass

  • 224.212

monoisotopicmass

  • 224.06847

smiles

  • O=C1C(OC)=CC(=O)C(=C1[C@H](C(=O)C)C)O

subset

  • 2_STAR

synonym EXACT

  • 2-hydroxy-5-methoxy-3-(3-oxobutan-2-yl)cyclohexa-2,5-diene-1,4-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207895

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