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Concept information

... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > chalcones > [3-(2,5-dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid
... > organooxygen compound > carbonyl compound > ketone > aromatic ketone > chalcones > [3-(2,5-dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > chalcones > [3-(2,5-dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid

Preferred term

[3-(2,5-dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C15H14O7S

inchi

  • InChI=1S/C15H14O7S/c16-11-6-7-13(17)12(8-11)14(18)9-15(22-23(19,20)21)10-4-2-1-3-5-10/h1-8,15-17H,9H2,(H,19,20,21)

inchikey

  • KXURGVQDCDHTAF-UHFFFAOYSA-N

mass

  • 338.330

monoisotopicmass

  • 338.04602

smiles

  • S(OC(CC(=O)C1=C(O)C=CC(O)=C1)C2=CC=CC=C2)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [3-(2,5-dihydroxyphenyl)-3-oxo-1-phenylpropyl] hydrogen sulate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176380

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