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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:astechrome
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Accession:CHEBI:73877 term browser browse the term
Definition:An iron(III) hydroxamate based pigment isolated from Aspergillus terreus and later found in Aspergillus fumigatus.
Synonyms:exact_synonym: tris[1-(hydroxy-kappaO)-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrazin-2(1N)-onato-kappaO]iron
 related_synonym: Formula=C60H66FeN9O9;   InChI=1S/3C20H22N3O3.Fe/c3*1-12(2)8-9-14-6-5-7-16-15(11-21-18(14)16)10-17-19(26-4)22-13(3)20(24)23(17)25;/h3*5-8,11,21H,9-10H2,1-4H3;/q3*-1;+3;   InChIKey=OEPBYEBLOCELCQ-UHFFFAOYSA-N;   SMILES=COC1=C(Cc2c[nH]c3c(CC=C(C)C)cccc23)N2O[Fe-3]34(ON5C(Cc6c[nH]c7c(CC=C(C)C)cccc67)=C(OC)N=C(C)C5=[O+]3)(ON3C(Cc5c[nH]c6c(CC=C(C)C)cccc56)=C(OC)N=C(C)C3=[O+]4)[O+]=C2C(C)=N1;   ferric tris[5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-2-oxopyrazin-1(2H)-olate];   iron(3+) tris[5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-2-oxopyrazin-1(2H)-olate]
 xref: PMID:23360537;   Reaxys:23281931



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  CHEBI ontology 20050
    role 20001
      biological role 20000
        biochemical role 19624
          metabolite 19605
            astechrome 0
              hexadehydroastechrome 0
Path 2
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  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic molecule 19809
                              organic cyclic compound 19572
                                organic heterocyclic compound 18799
                                  organic heteropolycyclic compound 18274
                                    organic heterobicyclic compound 17169
                                      benzopyrrole 9604
                                        indoles 9277
                                          astechrome 0
                                            hexadehydroastechrome 0
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