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CHEBI:69821 - 12-deoxyphorbaldehyde-13-hexadecanoate

ChEBI IDCHEBI:69821
ChEBI Name12-deoxyphorbaldehyde-13-hexadecanoate
Stars
DefinitionA natural product found in Euphorbia fischeriana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H56O6
Net Charge0
Average Mass584.838
Monoisotopic Mass584.40769
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(C=O)=C[C@]1([H])[C@]2(O)[C@H](C)C[C@@]2(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)[C@@]12[H]
InChIInChI=1S/C36H56O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,24,26,28-29,31,40-41H,6-19,22-23H2,1-5H3/t26-,28+,29-,31-,34-,35+,36-/m1/s1
InChIKeyNFTGKFBSWRGMSO-IEIRSVMLSA-N
Species of MetaboliteComponentSourceComments
Euphorbia fischeriana (ncbitaxon:1035560) whole plant (BTO:0001461) PubMed (21534540) 90% EtOH extract of dried and powdered plant
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-deoxyphorbaldehyde-13-hexadecanoate (CHEBI:69821) has role metabolite (CHEBI:25212)
12-deoxyphorbaldehyde-13-hexadecanoate (CHEBI:69821) is a phorbol ester (CHEBI:37532)
Synonym  Source
(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-Formyl-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl palmitateChEBI
Citations