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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavanone > dihydroxyflavanone > (s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > flavanones > hydroxyflavanone > dihydroxyflavanone > (s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > flavanones > hydroxyflavanone > dihydroxyflavanone > (s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > ether > aromatic ether > methoxyflavanone > monomethoxyflavanone > (s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > flavanones > methoxyflavanone > monomethoxyflavanone > (s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > flavanones > methoxyflavanone > monomethoxyflavanone > (s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > ether > aromatic ether > methoxyflavanone > 4'-methoxyflavanones > (s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > flavanones > methoxyflavanone > 4'-methoxyflavanones > (s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > flavanones > methoxyflavanone > 4'-methoxyflavanones > (s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one

Preferred term

(s)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one  

Type

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

charge

  • 0

formula

  • C21H22O5

has_functional_parent

inchi

  • InChI=1S/C21H22O5/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(26-21(15)20)13-5-7-14(25-3)8-6-13/h4-8,10,19,22-23H,9,11H2,1-3H3/t19-/m0/s1

inchikey

  • CTFJUDTWKJHYNX-IBGZPJMESA-N

mass

  • 354.39640

monoisotopicmass

  • 354.14672

smiles

  • COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O1

subset

  • 3_STAR

synonym EXACT

  • (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70021

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