1-acetylpallidopenilline A (CHEBI:228084)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228084 - 1-acetylpallidopenilline A

Take structure to advanced search

ChEBI ID	CHEBI:228084
ChEBI Name	1-acetylpallidopenilline A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H24O6
Net Charge	0
Average Mass	312.362
Monoisotopic Mass	312.15729
SMILES	CC(=O)OCCC(=O)[C@@H]1[C@H]2CC[C@H](O)[C@@H](O)[C@@H]2C=C[C@@]1(C)O
InChI	InChI=1S/C16H24O6/c1-9(17)22-8-6-12(18)14-10-3-4-13(19)15(20)11(10)5-7-16(14,2)21/h5,7,10-11,13-15,19-21H,3-4,6,8H2,1-2H3/t10-,11+,13-,14-,15-,16+/m0/s1
InChIKey	QICFVHYRAGNQEH-OKSWBZEOSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	1-acetylpallidopenilline A (CHEBI:228084) is a tertiary alcohol (CHEBI:26878)

IUPAC Name
[3-[(1R,2R,4aR,5S,6S,8aS)-2,5,6-trihydroxy-2-methyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-3-oxopropyl] acetate

Manual Xrefs	Databases
60596901	ChemSpider