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CHEBI:69316 - endiandric acid K, rel-

ChEBI IDCHEBI:69316
ChEBI Nameendiandric acid K, rel-
Stars
DefinitionA natural product found in Beilschmiedia tsangii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H24O4
Net Charge0
Average Mass352.430
Monoisotopic Mass352.16746
SMILES[H][C@@]12C=C[C@]3([H])[C@H](C(=O)O)[C@@]1([H])C[C@@]1([H])[C@H](CCCc4ccc5c(c4)OCO5)[C@]3([H])[C@@]21[H]
InChIInChI=1S/C22H24O4/c23-22(24)21-14-6-5-13-16(21)9-15-12(19(14)20(13)15)3-1-2-11-4-7-17-18(8-11)26-10-25-17/h4-8,12-16,19-21H,1-3,9-10H2,(H,23,24)/t12-,13+,14-,15-,16-,19-,20-,21-/m0/s1
InChIKeySMOQNODVPACIFX-CZWRZWPQSA-N
Species of MetaboliteComponentSourceComments
Beilschmiedia tsangii (IPNI:462970-1) root (BTO:0001188) PubMed (21846089) Cold MeOH extract of dry and sliced roots
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
endiandric acid K, rel- (CHEBI:69316) has role metabolite (CHEBI:25212)
endiandric acid K, rel- (CHEBI:69316) is a benzodioxoles (CHEBI:38298)
Synonym  Source
rel-(1R,2R,3R,4S,5S,7S,8R,9S)-4-[3-(1,3-Benzodioxol-5-yl)propyl]tetracyclo[5.4.0.0(2,5).0(3,9)]undec-10-ene-8-carboxylic acidChEBI
Citations