beta-Calacorene (CHEBI:230232)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	beta-Calacorene

ChEBI ID	CHEBI:230232

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20

Net Charge

Average Mass

200.325

Monoisotopic Mass

200.15650

InChI

InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,13H,4,6,8H2,1-3H3

InChIKey

KFYISTOZYAKAPV-UHFFFAOYSA-N

SMILES

C1(C(C)C)CCC(C2=C1C=C(C=C2)C)=C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	beta-Calacorene (CHEBI:230232) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

7-methyl-4-methylidene-1-propan-2-yl-2,3-dihydro-1H-naphthalene