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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:4'-dehydroxy aspernolide A
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Accession:CHEBI:208568 term browser browse the term
Synonyms:exact_synonym: methyl (2R)-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-hydroxy-5-oxo-3-phenyluran-2-carboxylate
 related_synonym: Formula=C24H24O6;   InChI=1S/C24H24O6/c1-23(2)12-11-17-13-15(9-10-18(17)29-23)14-24(22(27)28-3)19(20(25)21(26)30-24)16-7-5-4-6-8-16/h4-10,13,25H,11-12,14H2,1-3H3/t24-/m1/s1;   InChIKey=AFQJNPHIZPDBIY-XMMPIXPASA-N;   SMILES=O=C1O[C@](C(=O)OC)(CC2=CC3=C(OC(C)(C)CC3)C=C2)C(=C1O)C4=CC=CC=C4
 xref: Chemspider:71048930


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Term paths to the root
Path 1
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
                oxacycle 17918
                  benzopyran 11974
                    1-benzopyran 11728
                      4'-dehydroxy aspernolide A 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
                    main group molecular entity 19835
                      p-block molecular entity 19835
                        carbon group molecular entity 19774
                          organic molecular entity 19771
                            organic molecule 19724
                              organic cyclic compound 19515
                                organic heterocyclic compound 18890
                                  organic heteropolycyclic compound 18310
                                    benzopyran 11974
                                      1-benzopyran 11728
                                        4'-dehydroxy aspernolide A 0
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