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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavanone > tetrahydroxyflavanone > (s)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > flavanones > hydroxyflavanone > tetrahydroxyflavanone > (s)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > flavanones > hydroxyflavanone > tetrahydroxyflavanone > (s)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > flavanones > hydroxyflavanone > tetrahydroxyflavanone > (s)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one

Preferred term

(s)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chroman-4-one  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28O6

has_functional_parent

inchi

  • InChI=1S/C25H28O6/c1-13(2)5-7-18-23(29)19(8-6-14(3)4)25-22(24(18)30)20(28)12-21(31-25)15-9-16(26)11-17(27)10-15/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3/t21-/m0/s1

inchikey

  • OKBQXURKDRNMAB-NRFANRHFSA-N

mass

  • 424.48620

monoisotopicmass

  • 424.18859

smiles

  • CC(C)=CCc1c(O)c(CC=C(C)C)c2O[C@@H](CC(=O)c2c1O)c1cc(O)cc(O)c1

subset

  • 3_STAR

synonym EXACT

  • (2S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70019

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