Pallidopenilline H (CHEBI:228103)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228103 - Pallidopenilline H

Take structure to advanced search

ChEBI ID	CHEBI:228103
ChEBI Name	Pallidopenilline H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H26O5
Net Charge	0
Average Mass	310.390
Monoisotopic Mass	310.17802
SMILES	CC(=O)OC[C@H]1CC[C@@H]2[C@@H](C(=O)CCO)C(C)=C[C@@H](O)[C@H]2C1
InChI	InChI=1S/C17H26O5/c1-10-7-16(21)14-8-12(9-22-11(2)19)3-4-13(14)17(10)15(20)5-6-18/h7,12-14,16-18,21H,3-6,8-9H2,1-2H3/t12-,13-,14-,16+,17-/m0/s1
InChIKey	HBDMGVZPMIDNBL-WAXYHTEFSA-N

Species of Metabolite	Component	Source	Comments
Penicillium thomii (ncbitaxon:36647)	-	PubMed (28006908)

ChEBI Ontology

Outgoing Relation(s)
	Pallidopenilline H (CHEBI:228103) is a β-hydroxy ketone (CHEBI:55380)

IUPAC Name
[(2S,4aS,5R,8S,8aS)-8-hydroxy-5-(3-hydroxypropanoyl)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl]methyl acetate

Manual Xrefs	Databases
60596910	ChemSpider