EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:66833
ChEBI Name2-beta-benzoyloxy Ejpa-2
Stars
DefinitionA natural product found in Celastrus orbiculatus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H40O11
Net Charge0
Average Mass636.694
Monoisotopic Mass636.25706
SMILES[H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(C)=O
InChIInChI=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
InChIKeyNDGSLRUFUIEVLM-HDWLWNEUSA-N
Species of MetaboliteComponentSourceComments
Celastrus orbiculatus (ncbitaxon:85181) root (BTO:0001188) PubMed (10346948)
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)
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  Source
1beta,6alpha,15-triacetoxy-2beta,9alpha-dibenzoyloxy-dihydro-beta-agarofuranChEBI
(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 dibenzoateChEBI
Citations