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CHEBI:67863 - rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione

ChEBI IDCHEBI:67863
ChEBI Namerel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione
Stars
DefinitionA natural product found in Euphorbia grandicornis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H38O9
Net Charge0
Average Mass530.614
Monoisotopic Mass530.25158
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)C=C(CO)C(=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/C29H38O9/c1-8-15(4)25(34)37-13-26(7)22-20-21(31)18(12-30)11-27(35)19(9-16(5)23(27)32)29(20,36)17(6)10-28(22,26)38-24(33)14(2)3/h8-9,11,14,17,19-20,22,30,35-36H,10,12-13H2,1-7H3/b15-8-/t17-,19-,20+,22-,26-,27-,28+,29+/m1/s1
InChIKeyYYLJXVKJJBZWBK-VFLXVHJUSA-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,20-trihydroxytiglia-1,5-diene-3,7-dione (CHEBI:67863) has role metabolite (CHEBI:25212)
rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione (CHEBI:67863) is a phorbol ester (CHEBI:37532)
Citations