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CHEBI:67871 - 15,16-epoxy-2alpha-benzoyloxycleroda-3,13(16),14-trien-18-oic acid, (rel)-

ChEBI IDCHEBI:67871
ChEBI Name15,16-epoxy-2alpha-benzoyloxycleroda-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@@]12C[C@@H](OC(=O)c3ccccc3)C=C(C(=O)O)[C@@]1(C)CC[C@H](C)[C@@]2(C)CCc1ccoc1
InChIInChI=1S/C27H32O5/c1-18-9-12-27(3)22(24(28)29)15-21(32-25(30)20-7-5-4-6-8-20)16-23(27)26(18,2)13-10-19-11-14-31-17-19/h4-8,11,14-15,17-18,21,23H,9-10,12-13,16H2,1-3H3,(H,28,29)/t18-,21-,23-,26+,27+/m0/s1
InChIKeyFHFVNFYWYHLICU-NBLSRCDMSA-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-2alpha-benzoyloxycleroda-3,13(16),14-trien-18-oic acid, (rel)- (CHEBI:67871) has role metabolite (CHEBI:25212)
15,16-epoxy-2alpha-benzoyloxycleroda-3,13(16),14-trien-18-oic acid, (rel)- (CHEBI:67871) is a diterpenoid (CHEBI:23849)
Synonym  Source
rel-(3R,4aR,5R,6S,8aS)-3-(benzoyloxy)-5-[2-(3-furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acidChEBI
Citations