5-Deoxykievitone hydrate (CHEBI:175606)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-Deoxykievitone hydrate

ChEBI ID	CHEBI:175606

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O6

Net Charge

Average Mass

358.390

Monoisotopic Mass

358.14164

InChI

InChI=1S/C20H22O6/c1-20(2,25)8-7-13-16(22)6-5-14-18(24)15(10-26-19(13)14)12-4-3-11(21)9-17(12)23/h3-6,9,15,21-23,25H,7-8,10H2,1-2H3

InChIKey

BYQKGWSQMLLYGJ-UHFFFAOYSA-N

SMILES

O1C=2C(CCC(O)(C)C)=C(O)C=CC2C(=O)C(C1)C3=C(O)C=C(O)C=C3

ChEBI Ontology
Outgoing	5-Deoxykievitone hydrate (CHEBI:175606) is a isoflavanones (CHEBI:38741)

IUPAC Name

3-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one