Aspericacid A (CHEBI:214030)

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CHEBI:214030 - Aspericacid A

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ChEBI ID	CHEBI:214030
ChEBI Name	Aspericacid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H26O4
Net Charge	0
Average Mass	282.380
Monoisotopic Mass	282.18311
SMILES	CC(=O)[C@@]1(C)CC[C@H](/C(C)=C/[C@H](C)C[C@H](C)C(=O)O)O1
InChI	InChI=1S/C16H26O4/c1-10(9-12(3)15(18)19)8-11(2)14-6-7-16(5,20-14)13(4)17/h8,10,12,14H,6-7,9H2,1-5H3,(H,18,19)/b11-8+/t10-,12-,14+,16+/m0/s1
InChIKey	RQMATXOEBLWDAQ-AXXXBYNLSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (32569677)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Aspericacid A (CHEBI:214030) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(E,2S,4R)-6-[(2R,5R)-5-acetyl-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid

Manual Xrefs	Databases
99740739	ChemSpider