Xanthoangelol C (CHEBI:186626)

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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	Xanthoangelol C

ChEBI ID	CHEBI:186626

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H22O5

Net Charge

Average Mass

366.413

Monoisotopic Mass

366.14672

InChI

InChI=1S/C22H22O5/c1-15(3-2-14-23)4-10-18-21(26)13-11-19(22(18)27)20(25)12-7-16-5-8-17(24)9-6-16/h4-9,11-14,24,26-27H,2-3,10H2,1H3/b12-7+,15-4+

InChIKey

SXDGLCCGJJGJRY-FEUCYYSJSA-N

SMILES

OC=1C(C\C=C(\CCC=O)/C)=C(O)C=CC1C(=O)/C=C/C2=CC=C(O)C=C2

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	Xanthoangelol C (CHEBI:186626) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-6-[2,6-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylhex-4-enal