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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:azanigerone E
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Accession:CHEBI:133856 term browser browse the term
Definition:An azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and hydroxy substituents at position 7.
Synonyms:exact_synonym: 7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6H-2-benzopyran-6,8(7H)-dione
 related_synonym: Formula=C13H14O5;   InChI=1S/C13H14O5/c1-7(14)3-9-4-8-5-11(15)13(2,17)12(16)10(8)6-18-9/h4-7,14,17H,3H2,1-2H3;   InChIKey=HKWLGNSOBJZTNG-UHFFFAOYSA-N;   SMILES=C1=2C(=CC(C(C1=O)(O)C)=O)C=C(OC2)CC(C)O
 xref: PMID:22921072;   Reaxys:22929037


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Term Annotations click to browse term
  CHEBI ontology 19898
    chemical entity 19896
      atom 19896
        nonmetal atom 19818
          oxygen atom 19558
            oxygen molecular entity 19558
              organooxygen compound 19206
                polyketide 11524
                  azanigerone E 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  carbonyl compound 18929
                                    ketone 17272
                                      alpha-hydroxy ketone 8920
                                        tertiary alpha-hydroxy ketone 8621
                                          azanigerone E 0
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