Pestalotiotone B (CHEBI:217786)

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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	Pestalotiotone B

ChEBI ID	CHEBI:217786

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H30O2

Net Charge

Average Mass

254.414

Monoisotopic Mass

254.22458

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

SMILES

O=C(/C(=C/[C@@H]([C@H](O)[C@H](C[C@H](CC)C)C)C)/C)CC

Metabolite of Species	Details
Pestalotiopsis (NCBI:txid37840)	See: DOI

ChEBI Ontology
Outgoing	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