(2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone (CHEBI:186765)

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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	(2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone

ChEBI ID	CHEBI:186765

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H20O6

Net Charge

Average Mass

356.374

Monoisotopic Mass

356.12599

InChI

InChI=1S/C20H20O6/c1-4-20(2,3)18-14(24)9-16-17(19(18)25)13(23)8-15(26-16)10-5-6-11(21)12(22)7-10/h4-7,9,15,21-22,24-25H,1,8H2,2-3H3/t15-/m0/s1

InChIKey

BDPWAJXXQWRYNV-HNNXBMFYSA-N

SMILES

O1[C@@H](CC(=O)C=2C(O)=C(C(C)(C)C=C)C(O)=CC12)C3=CC(O)=C(O)C=C3

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	(2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone (CHEBI:186765) is a flavanones (CHEBI:28863)

IUPAC Name

(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-methylbut-3-en-2-yl)-2,3-dihydrochromen-4-one