EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69721 - Euphorbiaproliferin J

ChEBI IDCHEBI:69721
ChEBI NameEuphorbiaproliferin J
Stars
DefinitionA natural product found in Euphorbia prolifera.
Last Modified26 August 2015
DownloadsMolfile
FormulaC37H48O11
Net Charge0
Average Mass668.780
Monoisotopic Mass668.31966
SMILES[H][C@@]12[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@@]1(OC(C)=O)C[C@H](C)[C@@H]2OC(=O)CCC)[C@]3([H])[C@@]1([H])C(C)(C)[C@@]1([H])C[C@H]4OC(C)=O
InChIInChI=1S/C37H48O11/c1-9-13-26(41)46-29-19(2)17-37(48-22(5)40)28(29)31(45-21(4)39)36-18-43-35(8,33(37)47-32(42)23-14-11-10-12-15-23)30(36)27-24(34(27,6)7)16-25(36)44-20(3)38/h10-12,14-15,19,24-25,27-31,33H,9,13,16-18H2,1-8H3/t19-,24-,25+,27-,28+,29-,30-,31+,33+,35+,36+,37+/m0/s1
InChIKeyOWSWMLHRWAIDBR-FKTGJEKHSA-N
Species of MetaboliteComponentSourceComments
Euphorbia prolifera (IPNI:347888-1) root (BTO:0001188) PubMed (21928782) Ethyl acetate soluble part of methanol extract of air-dried roots.
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)
Euphorbiaproliferin J (CHEBI:69721) has role metabolite (CHEBI:25212)
Euphorbiaproliferin J (CHEBI:69721) is a butyrate ester (CHEBI:50477)
Euphorbiaproliferin J (CHEBI:69721) is a monoterpenoid (CHEBI:25409)
Synonym  Source
3beta-O-butyryl-5alpha,7beta,15beta-tri-O-acetyl-14alpha-Obenzoyl-6alpha,17-epoxy-14-deoxopremyrsinolChEBI
Citations