Dihydroxychaulmoogric acid (CHEBI:186972)

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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	Dihydroxychaulmoogric acid

ChEBI ID	CHEBI:186972

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H32O4

Net Charge

Average Mass

312.450

Monoisotopic Mass

312.23006

InChI

InChI=1S/C18H32O4/c19-16-14-13-15(18(16)22)11-9-7-5-3-1-2-4-6-8-10-12-17(20)21/h15,19,22H,1-14H2,(H,20,21)

InChIKey

AVUCHZPQKYTWLG-UHFFFAOYSA-N

SMILES

OC=1C(CCCCCCCCCCCCC(O)=O)CCC1O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Dihydroxychaulmoogric acid (CHEBI:186972) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

13-(2,3-dihydroxycyclopent-2-en-1-yl)tridecanoic acid