Brosimacutin B (CHEBI:185890)

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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 B

ChEBI ID	CHEBI:185890

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)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21-22,24-25H,9-10H2,1-2H3/t17-,18?/m1/s1

InChIKey

MCDSHLATEYMKDN-QNSVNVJESA-N

SMILES

O1C=2C(CC(O)C(O)(C)C)=C(O)C=CC2C(=O)C[C@@H]1C3=CC=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	Brosimacutin B (CHEBI:185890) is a flavanones (CHEBI:28863)

IUPAC Name

(2R)-8-(2,3-dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one