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CHEBI:218815 - 5-[(1R,4R,6R)-1,4-dihydroxy-2,6-dimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

ChEBI IDCHEBI:218815
ChEBI Name5-[(1R,4R,6R)-1,4-dihydroxy-2,6-dimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESCC(C=C[C@@]1(O)C(C)=C[C@H](O)C[C@H]1C)=CC(=O)O
InChIInChI=1S/C14H20O4/c1-9(6-13(16)17)4-5-14(18)10(2)7-12(15)8-11(14)3/h4-7,11-12,15,18H,8H2,1-3H3,(H,16,17)/t11-,12+,14-/m1/s1
InChIKeySNIARLNYOYAXGS-MBNYWOFBSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - DOI (10.1016/S0031-9422(00)81164-4)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-[(1R,4R,6R)-1,4-dihydroxy-2,6-dimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid (CHEBI:218815) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-[(1R,4R,6R)-1,4-dihydroxy-2,6-dimethylcyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid