Zosteropenilline I (CHEBI:212439)

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CHEBI:212439 - Zosteropenilline I

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ChEBI ID	CHEBI:212439
ChEBI Name	Zosteropenilline I
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Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O3
Net Charge	0
Average Mass	250.338
Monoisotopic Mass	250.15689
SMILES	C=C1C=C[C@H]2[C@H](O)[C@@H](C)CC[C@@H]2[C@H]1C(=O)CCO
InChI	InChI=1S/C15H22O3/c1-9-3-6-12-11(5-4-10(2)15(12)18)14(9)13(17)7-8-16/h3,6,10-12,14-16,18H,1,4-5,7-8H2,2H3/t10-,11-,12+,14-,15+/m0/s1
InChIKey	VERHFCHINWYQLU-ZZVJUGKHSA-N

Species of Metabolite	Component	Source	Comments
Penicillium thomii (ncbitaxon:36647)	-	PubMed (28218691)

ChEBI Ontology

Outgoing Relation(s)
	Zosteropenilline I (CHEBI:212439) is a β-hydroxy ketone (CHEBI:55380)

IUPAC Name
1-[(1R,4aR,5R,6S,8aS)-5-hydroxy-6-methyl-2-methylidene-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-3-hydroxypropan-1-one

Manual Xrefs	Databases
61362094	ChemSpider