Cis-cascarillic acid (CHEBI:209150)

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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	Cis-cascarillic acid

ChEBI ID	CHEBI:209150

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H20O2

Net Charge

Average Mass

184.279

Monoisotopic Mass

184.14633

InChI

InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-/m0/s1

InChIKey

DSMAUFFXECFFMC-UWVGGRQHSA-N

SMILES

O=C(O)C[C@H]1[C@@H](CCCCCC)C1

Metabolite of Species	Details
Labrenziaspecies 011 (NCBI:txid2171494)	See: PubMed

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	Cis-cascarillic acid (CHEBI:209150) is a carboxylic acid (CHEBI:33575)

IUPAC Name

2-[(1S,2S)-2-hexylcyclopropyl]acetic acid