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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:9-deoxy-hymatoxin A
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Accession:CHEBI:141328 term browser browse the term
Definition:An organic heterotetracyclic compound that is isopimarane in which a hydrogen at position 2 of the 13-ethyl substituent has been replaced by a (sulfooxy) group, a double bond has been introduced at the 7-8 position, and the beta-methyl group at position 4 has been oxidised to the corrsponding carboxy group and coupled to position 6 to give a gamma-lactone. Isolated from an avendophytic fungus, Xylaria sp. YM 311647, obtained from Azadirachta indica, it shows potent inhibitory activity against C. albicans and Pyricularia oryzae.
Synonyms:exact_synonym: (6beta,13alpha)-18-oxo-6,18-epoxypimar-7-en-16-yl hydrogen sulfate
 related_synonym: 9-deoxyhymatoxin A;   Formula=C20H30O6S;   InChI=1S/C20H30O6S/c1-18(9-10-25-27(22,23)24)8-5-14-13(12-18)11-15-16-19(14,2)6-4-7-20(16,3)17(21)26-15/h11,14-16H,4-10,12H2,1-3H3,(H,22,23,24)/t14-,15+,16+,18+,19+,20-/m0/s1;   InChIKey=ZRFMKYKOLFQQPF-QWFGBESBSA-N;   SMILES=[C@@]12([C@@]3(C(=C[C@@H]4[C@@]2([H])[C@](CCC1)(C(O4)=O)C)C[C@](CC3)(CCOS(O)(=O)=O)C)[H])C
 xref: PMID:24890390



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Term Annotations click to browse term
  CHEBI ontology 19863
    role 19835
      biological role 19833
        antimicrobial agent 18223
          antifungal agent 17133
            9-deoxy-hymatoxin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      chalcogen 19557
                        oxygen atom 19530
                          oxygen molecular entity 19530
                            hydroxides 19337
                              oxoacid 18770
                                chalcogen oxoacid 13776
                                  sulfur oxoacid 13564
                                    sulfuric acid 8248
                                      sulfuric acid derivative 8248
                                        sulfates 8243
                                          organic sulfate 2286
                                            9-deoxy-hymatoxin A 0
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