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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 C
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Accession:CHEBI:67562 term browser browse the term
Definition:A withanolide that is 23,26-epoxyergosta-1,4-diene substituted by an acetyloxy group at position 18, 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,25R)-22-hydroxy-3,26-dioxo-23,26-epoxyergosta-1,4-dien-18-yl acetate
 related_synonym: Formula=C30H42O6;   InChI=1S/C30H42O6/c1-16-17(2)28(34)36-27(16)26(33)18(3)23-8-9-25-22-7-6-20-14-21(32)10-12-29(20,5)24(22)11-13-30(23,25)15-35-19(4)31/h10,12,14,16-18,22-27,33H,6-9,11,13,15H2,1-5H3/t16-,17-,18+,22-,23-,24+,25+,26+,27-,29+,30+/m1/s1;   InChIKey=CFLDASSGYNALJR-DYJDMTRPSA-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@]12COC(C)=O
 xref: PMID:21425785;   Reaxys:21534309


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  CHEBI ontology 19831
    role 19807
      application 19650
        food additive 16122
          food acidity regulator 11943
            acetic acid 11053
              acetate ester 4053
                paraminabeolide C 0
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  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbonyl compound 18874
                                    ketone 17181
                                      oxo steroid 10541
                                        3-oxo steroid 9932
                                          3-oxo-Delta(1) steroid 5222
                                            3-oxo-Delta(1),Delta(4)-steroid 5222
                                              paraminabeolide C 0
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