Fusahydronaphthalene (CHEBI:218057)

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CHEBI:218057 - Fusahydronaphthalene

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ChEBI ID	CHEBI:218057
ChEBI Name	Fusahydronaphthalene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H26O
Net Charge	0
Average Mass	246.394
Monoisotopic Mass	246.19837
SMILES	C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)C(C)=O
InChI	InChI=1S/C17H26O/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)17(15,4)13(3)18/h5-6,8-9,12,14-16H,7,10-11H2,1-4H3/b6-5+/t12-,14-,15-,16-,17-/m0/s1
InChIKey	ZMNUQXHKKBCKLT-ZQIFJLEOSA-N

Species of Metabolite	Component	Source	Comments
Fusariumspecies PSU-ES123 (ncbitaxon:1608752)	-	DOI (10.1016/j.tet.2016.08.048)

ChEBI Ontology

Outgoing Relation(s)
	Fusahydronaphthalene (CHEBI:218057) is a ketone (CHEBI:17087)

IUPAC Name
1-[(1R,2S,4aR,6S,8aS)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethanone

Manual Xrefs	Databases
58197254	ChemSpider