beta-elemol (CHEBI:172934)

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CHEBI:172934 - beta-elemol

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ChEBI ID	CHEBI:172934
ChEBI Name	beta-elemol
Stars
Definition	A sesquiterpene.
Last Modified	14 July 2021
Submitter	Tereza Calounova
Downloads	Molfile

Formula	C15H26O
Net Charge	0
Average Mass	222.372
Monoisotopic Mass	222.19837
SMILES	[H]OC(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@](C([H])=C([H])[H])(C([H])([H])[H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])C1([H])[H]
InChI	InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13-,15-/m1/s1
InChIKey	GFJIQNADMLPFOW-UMVBOHGHSA-N

Species of Metabolite	Component	Source	Comments
Amorpha canescens (ncbitaxon:252450)	fruit (BTO:0000486)	DOI (10.5650/jos.ess14152)
Euphorbia intisy (ncbitaxon:209353)	-	PubMed (33572621)

ChEBI Ontology

Outgoing Relation(s)
	beta-elemol (CHEBI:172934) is a sesquiterpenoid (CHEBI:26658)

Manual Xrefs	Databases
C00031626	KNApSAcK

Registry Numbers	Sources
CAS:32142-08-8	NIST Chemistry WebBook

Citations