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

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ChEBI Name rel-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate
ChEBI ID CHEBI:70535
Definition A natural product found in Pimelea elongata.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000096086419
Download Molfile XML SDF
Formula C32H46O8
Net Charge 0
Average Mass 558.70280
Monoisotopic Mass 558.31927
InChI InChI=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
InChIKey OBBJCZQJFFPFHC-OLAOYWHUSA-N
SMILES [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CC\C=C/CCCCC)[C@]1(OC(C)=O)[C@@]2([H])C1(C)C
Metabolite of Species Details
Pimelea elongata (IPNI:74472-3) Found in foliage leaf (PO:0009025). Airdried and milled foliage was soaked in 90% MeOH and extracted with MeOH 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.
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ChEBI Ontology
Outgoing 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)
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Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:fatty acid ester(CHEBI:35748); ISA:tertiary alcohol(CHEBI:26878); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734);