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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:paraminabeolide D
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Accession:CHEBI:67563 term browser browse the term
Definition:A withanolide that is 23,26-epoxyergosta-1,4-diene substituted by a hydroxy group at position 22 and oxo groups at positions 3 and 26. Isolated from a Formosan soft coral Paraminabea acronocephala, it has been found to inhibit the accumulation of the pro-inflammatory iNOS protein.
Synonyms:exact_synonym: (22S,23R,24S,25R)-22-hydroxy-23,26-epoxyergosta-1,4-diene-3,26-dione
 related_synonym: Formula=C28H40O4;   InChI=1S/C28H40O4/c1-15-16(2)26(31)32-25(15)24(30)17(3)21-8-9-22-20-7-6-18-14-19(29)10-12-27(18,4)23(20)11-13-28(21,22)5/h10,12,14-17,20-25,30H,6-9,11,13H2,1-5H3/t15-,16+,17-,20-,21+,22-,23-,24-,25+,27-,28+/m0/s1;   InChIKey=UISXVQNCBCKQHL-PPGQKZPJSA-N;   SMILES=C[C@H]([C@H](O)[C@@H]1OC(=O)[C@H](C)[C@@H]1C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
 xref: PMID:21425785;   Reaxys:21534303


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            marine metabolite 0
              coral metabolite 0
                paraminabeolide D 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      oxo steroid 0
                                        3-oxo steroid 0
                                          3-oxo-Delta(1) steroid 0
                                            3-oxo-Delta(1),Delta(4)-steroid 0
                                              paraminabeolide D 0
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