alpha-neoclovene (CHEBI:192759)

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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	α-neoclovene

ChEBI ID	CHEBI:192759

ChEBI ASCII Name	alpha-neoclovene

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

Submitter	Tereza Calounova

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.357

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12?,14-,15+/m0/s1

InChIKey

ZCJQJJWNFDNQGZ-JQXSQYPDSA-N

SMILES

[C@@]12([C@]3(C(=CCC1)C)CCC2C(C3)(C)C)C

Roles Classification
Biological Role(s):	volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	α-neoclovene (CHEBI:192759) has role plant metabolite (CHEBI:76924) α-neoclovene (CHEBI:192759) has role volatile oil component (CHEBI:27311) α-neoclovene (CHEBI:192759) is a an α-neoclovene (CHEBI:193105) α-neoclovene (CHEBI:192759) is a carbotricyclic compound (CHEBI:38032) α-neoclovene (CHEBI:192759) is a polycyclic olefin (CHEBI:35714) α-neoclovene (CHEBI:192759) is a sesquiterpene (CHEBI:35189)

Registry Number	Type	Source
4545-68-0	CAS Registry Number	NIST Chemistry WebBook

Last Modified

08 September 2022