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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:nidulalin A
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Accession:CHEBI:66625 term browser browse the term
Definition:A member of the class xanthones which consists of a dihydroxanthone skeleton substituted by hydroxy groups at positions 4 and 8, a methyl group at position 6 and a methoxycarbonyl group at position 4a (the 4R,4aS stereoisomer). It is isolated from Emericella nidulans var lata and Penicillium and exhibits potent antitumour activity against both human and murine tumour cell lines.
Synonyms:exact_synonym: methyl (4R,4aS)-4,8-dihydroxy-6-methyl-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate
 related_synonym: Formula=C16H14O6;   InChI=1S/C16H14O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3-7,12,17-18H,1-2H3/t12-,16+/m1/s1;   InChIKey=BVPTZDRKEDPTOX-WBMJQRKESA-N;   SMILES=COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O
 xref: PMID:10509910;   PMID:10784438;   PMID:16595963;   PMID:19575043;   PMID:9711252;   Reaxys:7043293


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Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      biological role 19812
        antimicrobial agent 18164
          nidulalin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      chalcogen 19543
                        oxygen atom 19518
                          oxygen molecular entity 19518
                            hydroxides 19330
                              organic hydroxy compound 18953
                                alcohol 15705
                                  aliphatic alcohol 11881
                                    alkyl alcohol 11788
                                      methanol 3961
                                        methyl ester 3907
                                          nidulalin A 0
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