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CHEBI:67870 - 15,16-epoxy-8alpha-(benzoyloxy)methyl-2-oxocleroda-3,13(16),14-trien-18-oic acid, (rel)-

ChEBI IDCHEBI:67870
ChEBI Name15,16-epoxy-8alpha-(benzoyloxy)methyl-2-oxocleroda-3,13(16),14-trien-18-oic acid, (rel)-
Stars
DefinitionA natural product found in Dodonaea polyandra.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H30O6
Net Charge0
Average Mass450.531
Monoisotopic Mass450.20424
SMILES[H][C@@]12CC(=O)C=C(C(=O)O)[C@@]1(C)CC[C@@H](COC(=O)c1ccccc1)[C@@]2(C)CCc1ccoc1
InChIInChI=1S/C27H30O6/c1-26(11-8-18-10-13-32-16-18)20(17-33-25(31)19-6-4-3-5-7-19)9-12-27(2)22(24(29)30)14-21(28)15-23(26)27/h3-7,10,13-14,16,20,23H,8-9,11-12,15,17H2,1-2H3,(H,29,30)/t20-,23-,26+,27+/m0/s1
InChIKeyVMVRDPXOFKPSSN-KQCYOHNVSA-N
Species of MetaboliteComponentSourceComments
Dodonaea polyandra (ncbitaxon:569829) stem (BTO:0001300) PubMed (21381684) DCM/MeOH(1:1) extract of stem
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)
15,16-epoxy-8alpha-(benzoyloxy)methyl-2-oxocleroda-3,13(16),14-trien-18-oic acid, (rel)- (CHEBI:67870) has role metabolite (CHEBI:25212)
15,16-epoxy-8alpha-(benzoyloxy)methyl-2-oxocleroda-3,13(16),14-trien-18-oic acid, (rel)- (CHEBI:67870) is a diterpenoid (CHEBI:23849)
Synonym  Source
rel-(4aR,5S,6S,8aS)-6-[(benzoyloxy)methyl]-5-[2-(3-furyl)ethyl]-5,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acidChEBI
Citations