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CHEBI:67868 - 15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)-

ChEBI IDCHEBI:67868
ChEBI Name15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)-
Stars
DefinitionA natural product found in Dodonaea polyandra.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H32O5
Net Charge0
Average Mass436.548
Monoisotopic Mass436.22497
SMILES[H][C@@]12CCC=C(C(=O)O)[C@@]1(C)CC[C@@H](COC(=O)c1ccccc1)[C@@]2(C)CCc1ccoc1
InChIInChI=1S/C27H32O5/c1-26(14-11-19-13-16-31-17-19)21(18-32-25(30)20-7-4-3-5-8-20)12-15-27(2)22(24(28)29)9-6-10-23(26)27/h3-5,7-9,13,16-17,21,23H,6,10-12,14-15,18H2,1-2H3,(H,28,29)/t21-,23-,26+,27+/m0/s1
InChIKeyDLXCJIWTYVKNPT-KNSGPAFVSA-N
Species of MetaboliteComponentSourceComments
Dodonaea polyandra (ncbitaxon:569829) leaf (BTO:0000713) PubMed (21381684) n-hexane extract of leaves
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)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)- (CHEBI:67868) has role metabolite (CHEBI:25212)
15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)- (CHEBI:67868) is a diterpenoid (CHEBI:23849)
Synonym  Source
rel-(4aR,5S,6S,8aS)-6-[(benzoyloxy)methyl]-5-[2-(3-furyl)ethyl]-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acidChEBI
Citations