Crotaoprostrin (CHEBI:185812)

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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	Crotaoprostrin

ChEBI ID	CHEBI:185812

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O5

Net Charge

Average Mass

314.337

Monoisotopic Mass

314.11542

InChI

InChI=1S/C18H18O5/c1-21-16-10-12(11-17(22-2)18(16)23-3)8-9-15(20)13-6-4-5-7-14(13)19/h4-11,19H,1-3H3/b9-8+

InChIKey

SRSBUHVXNLHWHU-CMDGGOBGSA-N

SMILES

O(C1=C(OC)C=C(C=C1OC)/C=C/C(=O)C=2C(O)=CC=CC2)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	Crotaoprostrin (CHEBI:185812) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-1-(2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one