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CHEBI:70537 - 12-O-Decanoylphorbol-13-acetate

ChEBI IDCHEBI:70537
ChEBI Name12-O-Decanoylphorbol-13-acetate
Stars
DefinitionA natural product found in Pimelea elongata and Croton tiglium.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H48O8
Net Charge0
Average Mass560.728
Monoisotopic Mass560.33492
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)CCCCCCCCC)[C@@]2(OC(C)=O)C(C)(C)[C@@]12[H]
InChIInChI=1S/C32H48O8/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/h15-16,20,23-24,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1
InChIKeyUYRXGTWBDKFNED-SVOQZPEWSA-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
Croton tiglium (ncbitaxon:497687) seed (BTO:0001226) PubMed (21049973) Isolated from seed oil
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)
12-O-Decanoylphorbol-13-acetate (CHEBI:70537) has role metabolite (CHEBI:25212)
12-O-Decanoylphorbol-13-acetate (CHEBI:70537) is a phorbol ester (CHEBI:37532)
Citations