CHEBI:66833 - 2-beta-benzoyloxy Ejpa-2

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ChEBI Name 2-beta-benzoyloxy Ejpa-2
ChEBI ID CHEBI:66833
Definition A natural product found in Celastrus orbiculatus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H40O11
Net Charge 0
Average Mass 636.68550
Monoisotopic Mass 636.25706
InChI InChI=1S/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1
InChIKey NDGSLRUFUIEVLM-HDWLWNEUSA-N
SMILES [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(COC(C)=O)[C@@H](OC(C)=O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(C)=O)OC(=O)c1ccccc1
Metabolite of Species Details
Celastrus orbiculatus (NCBI:txid85181) Found in root (BTO:0001188). 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-beta-benzoyloxy Ejpa-2 (CHEBI:66833) has role metabolite (CHEBI:25212)
2-beta-benzoyloxy Ejpa-2 (CHEBI:66833) is a sesquiterpenoid (CHEBI:26658)
Synonyms Sources
(1S,2R,4S,5R,6R,7S,9R,12R)-5,12-Diacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-4,7-diyl dibenzoate ChEBI
1beta,6alpha,15-triacetoxy-2beta,9alpha-dibenzoyloxy-dihydro-beta-agarofuran ChEBI
Citation Waiting for Citations Type Source
10346948 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:oxacycle(CHEBI:38104); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);