Brosimacutin I (CHEBI:186067)

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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	Brosimacutin I

ChEBI ID	CHEBI:186067

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H24O6

Net Charge

Average Mass

360.406

Monoisotopic Mass

360.15729

InChI

InChI=1S/C20H24O6/c1-20(2,26)18(24)11-15-17(23)10-6-13(19(15)25)5-9-16(22)12-3-7-14(21)8-4-12/h3-4,6-8,10,18,21,23-26H,5,9,11H2,1-2H3

InChIKey

GWBOCBSRSSJWFR-UHFFFAOYSA-N

SMILES

OC(C(O)CC=1C(O)=C(CCC(=O)C2=CC=C(O)C=C2)C=CC1O)(C)C

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	Brosimacutin I (CHEBI:186067) is a dihydrochalcones (CHEBI:71230)

IUPAC Name

3-[3-(2,3-dihydroxy-3-methylbutyl)-2,4-dihydroxyphenyl]-1-(4-hydroxyphenyl)propan-1-one