EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:68185 - Euphosalicin

ChEBI IDCHEBI:68185
ChEBI NameEuphosalicin
Stars
DefinitionA natural product found in Euphorbia esula and Euphorbia salicifolia.
Last Modified7 March 2016
DownloadsMolfile
FormulaC42H48N2O15
Net Charge0
Average Mass820.845
Monoisotopic Mass820.30547
SMILES[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(=O)c3cccnc3)C[C@]1(OC(C)=O)C(=O)[C@H](C)/C=C/C[C@@](C)(OC(C)=O)[C@H](OC(=O)c1cccnc1)C[C@@H](OC(C)=O)C(=C)[C@@H]2OC(C)=O
InChIInChI=1S/C42H48N2O15/c1-23-13-10-16-40(8,57-28(6)48)33(56-38(51)30-14-11-17-43-20-30)19-32(53-25(3)45)24(2)35(54-26(4)46)34-37(55-27(5)47)41(9,22-42(34,36(23)50)58-29(7)49)59-39(52)31-15-12-18-44-21-31/h10-15,17-18,20-21,23,32-35,37H,2,16,19,22H2,1,3-9H3/b13-10+/t23-,32-,33-,34+,35+,37-,40-,41-,42-/m1/s1
InChIKeyVCNSIDRPGQLVOC-XQFXQYKMSA-N
Species of MetaboliteComponentSourceComments
Euphorbia esula (ncbitaxon:3993) whole plant (BTO:0001461) PubMed (21612217) MeOH extract of whole fresh plant
Euphorbia salicifolia (ncbitaxon:1087779) - PubMed (21612217)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Euphosalicin (CHEBI:68185) has role plant metabolite (CHEBI:76924)
Euphosalicin (CHEBI:68185) is a acetate ester (CHEBI:47622)
Euphosalicin (CHEBI:68185) is a carbobicyclic compound (CHEBI:36785)
Euphosalicin (CHEBI:68185) is a macrocycle (CHEBI:51026)
Euphosalicin (CHEBI:68185) is a pyridines (CHEBI:26421)
Synonym  Source
[(1S,2R,4R,6R,7R,9E,11R,13R,15R,16R)-2,4,7,13,16-pentaacetyloxy-7,11,15-trimethyl-3-methylidene-12-oxo-15-(pyridine-3-carbonyloxy)-6-bicyclo[11.3.0]hexadec-9-enyl] pyridine-3-carboxylateChEBI
Citations