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CHEBI:70536 - rel-12-O-Octanoylphorbol-13-acetate

Default Structure
ChEBI IDCHEBI:70536
ChEBI Namerel-12-O-Octanoylphorbol-13-acetate
Stars
DefinitionA natural product found in Pimelea elongata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H44O8
Net Charge0
Average Mass532.674
Monoisotopic Mass532.30362
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)CCCCCCC)[C@@]2(OC(C)=O)C(C)(C)[C@@]12[H]
InChIInChI=1S/C30H44O8/c1-7-8-9-10-11-12-23(33)37-26-18(3)29(36)21(24-27(5,6)30(24,26)38-19(4)32)14-20(16-31)15-28(35)22(29)13-17(2)25(28)34/h13-14,18,21-22,24,26,31,35-36H,7-12,15-16H2,1-6H3/t18-,21+,22-,24-,26-,28-,29-,30-/m1/s1
InChIKeySGGSFXYVDVXEDS-UZDJWKIJSA-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-Octanoylphorbol-13-acetate (CHEBI:70536) has role metabolite (CHEBI:25212)
rel-12-O-Octanoylphorbol-13-acetate (CHEBI:70536) is a phorbol ester (CHEBI:37532)
Citations