Pestalotiotone B (CHEBI:217786)

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CHEBI:217786 - Pestalotiotone B

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ChEBI ID	CHEBI:217786
ChEBI Name	Pestalotiotone B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H30O2
Net Charge	0
Average Mass	254.414
Monoisotopic Mass	254.22458
SMILES	CCC(=O)/C(C)=C/[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC
InChI	InChI=1S/C16H30O2/c1-7-11(3)9-13(5)16(18)14(6)10-12(4)15(17)8-2/h10-11,13-14,16,18H,7-9H2,1-6H3/b12-10+/t11-,13-,14-,16+/m0/s1
InChIKey	FYSHMUOWDDFTQM-JJLHNHMXSA-N

Species of Metabolite	Component	Source	Comments
Pestalotiopsis (ncbitaxon:37840)	-	DOI (10.1016/j.tetlet.2017.11.045)

ChEBI Ontology

Outgoing Relation(s)
	Pestalotiotone B (CHEBI:217786) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(E,6S,7R,8S,10S)-7-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one

Manual Xrefs	Databases
78439402	ChemSpider