CHEBI:69819 - 12-deoxyphorbol-13,20-diacetate

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ChEBI Name 12-deoxyphorbol-13,20-diacetate
ChEBI ID CHEBI:69819
Definition A natural product found in Euphorbia fischeriana.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H32O7
Net Charge 0
Average Mass 432.50670
Monoisotopic Mass 432.21480
InChI InChI=1S/C24H32O7/c1-12-7-18-22(28,20(12)27)10-16(11-30-14(3)25)8-17-19-21(5,6)23(19,31-15(4)26)9-13(2)24(17,18)29/h7-8,13,17-19,28-29H,9-11H2,1-6H3/t13-,17+,18-,19-,22-,23+,24-/m1/s1
InChIKey NFSCEXJSMYPVGG-BACQOSNCSA-N
SMILES [H][C@@]12C=C(COC(C)=O)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)C[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Metabolite of Species Details
Euphorbia fischeriana (NCBI:txid1035560) Found in whole plant (BTO:0001461). 90% EtOH extract of dried and powdered plant See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12-deoxyphorbol-13,20-diacetate (CHEBI:69819) has role metabolite (CHEBI:25212)
12-deoxyphorbol-13,20-diacetate (CHEBI:69819) is a phorbol ester (CHEBI:37532)
Synonym Source
[(1aR,1bS,4aR,7aS,7bR,8R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-3-yl]methyl acetate ChEBI
Citation Waiting for Citations Type Source
21534540 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);