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CHEBI:209306 - Arecoic acid C

Default Structure
ChEBI IDCHEBI:209306
ChEBI NameArecoic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC=C1[C@H](C(=O)O)[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2C[C@H]1O
InChIInChI=1S/C15H22O5/c1-8-9(16)7-10-14(2,11(8)12(17)18)5-4-6-15(10,3)13(19)20/h9-11,16H,1,4-7H2,2-3H3,(H,17,18)(H,19,20)/t9-,10-,11-,14+,15+/m1/s1
InChIKeyXEHJYBQKYQRULM-UPYBOPHASA-N
Species of MetaboliteComponentSourceComments
Arecophila (ncbitaxon:189360) - PubMed (23079766)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Arecoic acid C (CHEBI:209306) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(1R,3R,4aR,5S,8aS)-3-hydroxy-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1,5-dicarboxylic acid
Manual XrefsDatabases
78442312ChemSpider