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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:Thaxtomin A
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Accession:CHEBI:206911 term browser browse the term
Synonyms:exact_synonym: (3R,6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
 related_synonym: Formula=C22H22N4O6;   InChI=1S/C22H22N4O6/c1-24-18(10-14-12-23-16-7-4-8-17(19(14)16)26(31)32)20(28)25(2)22(30,21(24)29)11-13-5-3-6-15(27)9-13/h3-9,12,18,23,27,30H,10-11H2,1-2H3/t18-,22+/m0/s1;   InChIKey=QRDNJYNIEGRRKV-PGRDOPGGSA-N;   SMILES=O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@](O)(CC4=CC(O)=CC=C4)N(C3=O)C)C)=CC=C1
 xref: Chemspider:156732


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5178
    chemical entity 5178
      atom 5169
        nonmetal atom 5135
          nitrogen atom 533
            nitrogen molecular entity 533
              organonitrogen compound 417
                Thaxtomin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5178
    subatomic particle 5169
      composite particle 5169
        hadron 5169
          baryon 5169
            nucleon 5169
              atomic nucleus 5169
                atom 5169
                  main group element atom 5141
                    main group molecular entity 5140
                      s-block molecular entity 5072
                        hydrogen molecular entity 5066
                          hydrides 4684
                            inorganic hydride 431
                              pnictogen hydride 427
                                nitrogen hydride 427
                                  azane 418
                                    ammonia 418
                                      organic amino compound 311
                                        amino acid 183
                                          alpha-amino acid 152
                                            Thaxtomin A 0
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