EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:67864 - rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,7beta-trihydroxytiglia-1,5-dien-3-one

ChEBI IDCHEBI:67864
ChEBI Namerel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,7beta-trihydroxytiglia-1,5-dien-3-one
Stars
DefinitionA natural product found in Euphorbia grandicornis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H40O8
Net Charge0
Average Mass516.631
Monoisotopic Mass516.27232
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)C=C(C)[C@H](O)[C@]1([H])[C@]2(O)[C@H](C)C[C@@]2(OC(=O)C(C)C)[C@](C)(COC(=O)/C(C)=C\C)[C@]21[H]
InChIInChI=1S/C29H40O8/c1-9-15(4)25(33)36-13-26(8)22-20-21(30)17(6)11-27(34)19(10-16(5)23(27)31)29(20,35)18(7)12-28(22,26)37-24(32)14(2)3/h9-11,14,18-22,30,34-35H,12-13H2,1-8H3/b15-9-/t18-,19-,20+,21+,22-,26-,27-,28+,29+/m1/s1
InChIKeyWFWMFGZANWSYAM-RJTCIUCTSA-N
Species of MetaboliteComponentSourceComments
Euphorbia grandicornis (ncbitaxon:334676) aerial part (BTO:0001658) PubMed (21319774) The CHCl3 soluble fraction of methanolic extract of aerial parts
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)
rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,7beta-trihydroxytiglia-1,5-dien-3-one (CHEBI:67864) has role metabolite (CHEBI:25212)
rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,7beta-trihydroxytiglia-1,5-dien-3-one (CHEBI:67864) is a phorbol ester (CHEBI:37532)
Citations