EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70535 - rel-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate

ChEBI IDCHEBI:70535
ChEBI Namerel-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate
Stars
DefinitionA natural product found in Pimelea elongata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H46O8
Net Charge0
Average Mass558.712
Monoisotopic Mass558.31927
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@]1([H])[C@]2(O)[C@H](C)[C@@H](OC(=O)CC/C=C\CCCCC)[C@@]2(OC(C)=O)C(C)(C)[C@@]12[H]
InChIInChI=1S/C32H46O8/c1-7-8-9-10-11-12-13-14-25(35)39-28-20(3)31(38)23(26-29(5,6)32(26,28)40-21(4)34)16-22(18-33)17-30(37)24(31)15-19(2)27(30)36/h11-12,15-16,20,23-24,26,28,33,37-38H,7-10,13-14,17-18H2,1-6H3/b12-11-/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1
InChIKeyOBBJCZQJFFPFHC-OLAOYWHUSA-N
Species of MetaboliteComponentSourceComments
Pimelea elongata (IPNI:74472-3) foliage leaf (PO:0009025) PubMed (21049973) Airdried and milled foliage was soaked in 90% MeOH and extracted with MeOH
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-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate (CHEBI:70535) has role metabolite (CHEBI:25212)
rel-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate (CHEBI:70535) is a phorbol ester (CHEBI:37532)
Citations