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CHEBI:165391 - Alchornoic acid

ChEBI IDCHEBI:165391
ChEBI NameAlchornoic acid
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FormulaC20H36O3
Net Charge0
Average Mass324.505
Monoisotopic Mass324.26645
SMILESCCCCC[C@H]1O[C@H]1C/C=C\CCCCCCCCCC(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h10,13,18-19H,2-9,11-12,14-17H2,1H3,(H,21,22)/b13-10-/t18-,19+/m1/s1
InChIKeyIQTLUAOJSNPZIR-QOLSVTOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Alchornoic acid (CHEBI:165391) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z)-13-[(2S,3R)-3-pentyloxiran-2-yl]tridec-11-enoic acid
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24841875ChemSpider
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