4,5,6-Tri-O-acetyl hygrophorone A12 (CHEBI:225020)

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CHEBI:225020 - 4,5,6-Tri-O-acetyl hygrophorone A12

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ChEBI ID	CHEBI:225020
ChEBI Name	4,5,6-Tri-O-acetyl hygrophorone A12
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H38O7
Net Charge	0
Average Mass	438.561
Monoisotopic Mass	438.26175
SMILES	CCCCCCCCCCCCC(OC(C)=O)[C@@]1(OC(C)=O)C(=O)C=C[C@H]1OC(C)=O
InChI	InChI=1S/C24H38O7/c1-5-6-7-8-9-10-11-12-13-14-15-22(29-18(2)25)24(31-20(4)27)21(28)16-17-23(24)30-19(3)26/h16-17,22-23H,5-15H2,1-4H3/t22?,23-,24+/m1/s1
InChIKey	HELIJCZATUDERA-XQFMJXHWSA-N

Species of Metabolite	Component	Source	Comments
Hygrophorus latitabundus (ncbitaxon:131569)	-	PubMed (15110686)

ChEBI Ontology

Outgoing Relation(s)
	4,5,6-Tri-O-acetyl hygrophorone A12 (CHEBI:225020) is a carboxylic ester (CHEBI:33308)

IUPAC Name
[(1R,5S)-5-acetyloxy-5-(1-acetyloxytridecyl)-4-oxocyclopent-2-en-1-yl] acetate

Manual Xrefs	Databases
9411025	ChemSpider