1,4-di-O-acetyl hygrophorone E12 (CHEBI:223041)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223041 - 1,4-di-O-acetyl hygrophorone E12

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:223041
ChEBI Name	1,4-di-O-acetyl hygrophorone E12
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H36O6
Net Charge	0
Average Mass	396.524
Monoisotopic Mass	396.25119
SMILES	CCCCCCCCCCCCC(=O)C1(O)C(OC(C)=O)C=C[C@H]1OC(C)=O
InChI	InChI=1S/C22H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-19(25)22(26)20(27-17(2)23)15-16-21(22)28-18(3)24/h15-16,20-21,26H,4-14H2,1-3H3/t20-,21?,22?/m1/s1
InChIKey	PMRNSRSBCILCAS-ITAUSPCMSA-N

Species of Metabolite	Component	Source	Comments
Hygrophorus persoonii (ncbitaxon:1032769)	-	PubMed (15110686)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	1,4-di-O-acetyl hygrophorone E12 (CHEBI:223041) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
[(4R)-4-acetyloxy-5-hydroxy-5-tridecanoylcyclopent-2-en-1-yl] acetate

Manual Xrefs	Databases
9433011	ChemSpider