Arecoic acid A (CHEBI:223147)

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CHEBI:223147 - Arecoic acid A

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ChEBI ID	CHEBI:223147
ChEBI Name	Arecoic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H24O6
Net Charge	0
Average Mass	300.351
Monoisotopic Mass	300.15729
SMILES	C[C@@]1(O)[C@H](O)C[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1C(=O)O
InChI	InChI=1S/C15H24O6/c1-13-5-4-6-14(2,12(19)20)8(13)7-9(16)15(3,21)10(13)11(17)18/h8-10,16,21H,4-7H2,1-3H3,(H,17,18)(H,19,20)/t8-,9-,10-,13+,14+,15-/m1/s1
InChIKey	HEAXEMQGICTZSM-UDCMDWLOSA-N

Species of Metabolite	Component	Source	Comments
Arecophila (ncbitaxon:189360)	-	PubMed (23079766)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Arecoic acid A (CHEBI:223147) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
(1R,2S,3R,4aR,5S,8aS)-2,3-dihydroxy-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1,5-dicarboxylic acid

Manual Xrefs	Databases
78442343	ChemSpider