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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > /{4-[3-oxo-3-(2,4,6-trihydroxyphenyl)prop-1-en-1-yl]phenyl/}oxidanesulfonic acid
... > organooxygen compound > carbonyl compound > ketone > aromatic ketone > chalcones > /{4-[3-oxo-3-(2,4,6-trihydroxyphenyl)prop-1-en-1-yl]phenyl/}oxidanesulfonic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > chalcones > /{4-[3-oxo-3-(2,4,6-trihydroxyphenyl)prop-1-en-1-yl]phenyl/}oxidanesulfonic acid

Preferred term

/{4-[3-oxo-3-(2,4,6-trihydroxyphenyl)prop-1-en-1-yl]phenyl/}oxidanesulfonic acid  

Type

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

charge

  • 0

formula

  • C15H12O8S

inchi

  • InChI=1S/C15H12O8S/c16-10-7-13(18)15(14(19)8-10)12(17)6-3-9-1-4-11(5-2-9)23-24(20,21)22/h1-8,16,18-19H,(H,20,21,22)/b6-3+

inchikey

  • OERQVDUPRGOEHR-ZZXKWVIFSA-N

mass

  • 352.310

monoisotopicmass

  • 352.02529

smiles

  • C=1C=C(C=CC1/C=C/C(C2=C(C=C(C=C2O)O)O)=O)OS(O)(=O)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193509

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