Ceratiolin (CHEBI:186323)

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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	Ceratiolin

ChEBI ID	CHEBI:186323

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H18O5

Net Charge

Average Mass

302.326

Monoisotopic Mass

302.11542

InChI

InChI=1S/C17H18O5/c1-10-14(19)13(16(21)17(2,22)15(10)20)12(18)9-8-11-6-4-3-5-7-11/h3-7,19-20,22H,8-9H2,1-2H3

InChIKey

RYOPKCVNBIKOJU-UHFFFAOYSA-N

SMILES

OC1(C(=O)C(=C(O)C(=C1O)C)C(=O)CCC2=CC=CC=C2)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	Ceratiolin (CHEBI:186323) is a benzenes (CHEBI:22712)

IUPAC Name

3,5,6-trihydroxy-4,6-dimethyl-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one