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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:picarbutrazox
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Accession:CHEBI:85627 term browser browse the term
Definition:An oxime O-ether that is the (Z)-oxime derivative of 1-methyl-1H-tetrazol-5-yl phenyl ketone in which the hydrogen of the hydroxy group has been replaced by the N-tert-butoxycarbonyl derivative of a [6-(Boc-amino)pyridin-2-yl]methyl group. It is a novel fungicide developed for use on cereals.
Synonyms:exact_synonym: tert-butyl {6-[({(Z)-[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]pyridin-2-yl}carbamate
 related_synonym: 1,1-dimethylethyl N-[6-[[[(Z)-[(1-methyl-1H-tetrazol-5-yl)phenylmethylene]amino]oxy]methyl]-2-pyridinyl]carbamate;   Formula=C20H23N7O3;   InChI=1S/C20H23N7O3/c1-20(2,3)30-19(28)22-16-12-8-11-15(21-16)13-29-24-17(14-9-6-5-7-10-14)18-23-25-26-27(18)4/h5-12H,13H2,1-4H3,(H,21,22,28)/b24-17-;   InChIKey=URHWNXDZOULUHC-ULJHMMPZSA-N;   SMILES=Cn1nnnc1\\C(=N/OCc1cccc(NC(=O)OC(C)(C)C)n1)c1ccccc1;   tert-butyl (6-{[(Z)-(1-methyl-1H-5-tetrazolyl)(phenyl)methylene]aminooxymethyl}-2-pyridyl)carbamate
 xref: CAS:500207-04-5;   PPDB:2667;   Patent:EP2687088;   Pesticides:picarbutrazox;   Reaxys:11888660

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        pesticide 0
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            picarbutrazox 0
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    subatomic particle 0
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                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
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                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  heteroarene 0
                                    monocyclic heteroarene 0
                                      azole 0
                                        tetrazoles 0
                                          picarbutrazox 0
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