Apiosporic acid (CHEBI:204175)

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CHEBI:204175 - Apiosporic acid

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ChEBI ID	CHEBI:204175
ChEBI Name	Apiosporic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H20O3
Net Charge	0
Average Mass	224.300
Monoisotopic Mass	224.14124
SMILES	C[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@@H]1C(=O)O
InChI	InChI=1S/C13H20O3/c1-8-2-4-10-6-9(7-14)3-5-11(10)12(8)13(15)16/h2,4,8-12,14H,3,5-7H2,1H3,(H,15,16)/t8-,9-,10-,11-,12-/m1/s1
InChIKey	LQQYYLGWHXPFKQ-LZQZFOIKSA-N

Species of Metabolite	Component	Source	Comments
Apiospora montagnei (ncbitaxon:255776)	-	PubMed (15217297)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Apiosporic acid (CHEBI:204175) is a carboxylic acid (CHEBI:33575)

IUPAC Name
(1R,2R,4aS,6R,8aR)-6-(hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid

Manual Xrefs	Databases
9393419	ChemSpider