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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavan > catechin > 9,10-dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > 9,10-dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one

Preferred term

9,10-dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one  

Type

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

Broader concept

charge

  • 0

formula

  • C24H20O9

inchi

  • InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19+,23-/m1/s1

inchikey

  • LKCOZWLUAKSRQM-MSVHQQNVSA-N

mass

  • 452.415

monoisotopicmass

  • 452.11073

smiles

  • O1[C@@H]([C@@H](O)CC2=C1C=3[C@H](CC(OC3C=C2O)=O)C4=CC(O)=C(O)C=C4)C5=CC(O)=C(O)C=C5

subset

  • 2_STAR

synonym EXACT

  • (2R,3S,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-]chromen-8-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168500

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