5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one (CHEBI:183378)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one

ChEBI ID	CHEBI:183378

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H14O6

Net Charge

Average Mass

302.282

Monoisotopic Mass

302.07904

InChI

InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1

InChIKey

AIONOLUJZLIMTK-CQSZACIVSA-N

SMILES

O1[C@H](CC(=O)C=2C1=CC(O)=CC2O)C3=CC(O)=C(OC)C=C3

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study

ChEBI Ontology
Outgoing	5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one (CHEBI:183378) is a ether (CHEBI:25698) 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one (CHEBI:183378) is a flavonoids (CHEBI:72544)

IUPAC Name

(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one