Apiosporic acid (CHEBI:204175)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Apiosporic acid

ChEBI ID	CHEBI:204175

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H20O3

Net Charge

Average Mass

224.300

Monoisotopic Mass

224.14124

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

SMILES

O=C(O)[C@H]1[C@H]2[C@H](C=C[C@H]1C)C[C@H](CO)CC2

Metabolite of Species	Details
Apiospora montagnei (NCBI:txid255776)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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