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

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ChEBI Name 15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)-
ChEBI ID CHEBI:67868
Definition A natural product found in Dodonaea polyandra.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H32O5
Net Charge 0
Average Mass 436.54000
Monoisotopic Mass 436.22497
InChI InChI=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
InChIKey DLXCJIWTYVKNPT-KNSGPAFVSA-N
SMILES [H][C@@]12CCC=C(C(O)=O)[C@@]1(C)CC[C@@H](COC(=O)c1ccccc1)[C@@]2(C)CCc1ccoc1
Metabolite of Species Details
Dodonaea polyandra (NCBI:txid569829) Found in leaf (BTO:0000713). n-hexane extract of leaves See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 acid ChEBI
Citation Waiting for Citations Type Source
21381684 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzoate ester(CHEBI:36054); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:furans(CHEBI:24129); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);