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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 19770
    role 19720
      application 19411
        food additive 14749
          food acidity regulator 11693
            acetic acid 10825
              acetate ester 3817
                paraminabeolide C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic group 18602
                              organic divalent group 18593
                                organodiyl group 18593
                                  carbonyl group 18506
                                    carbonyl compound 18506
                                      ketone 16825
                                        oxo steroid 9710
                                          3-oxo steroid 9267
                                            3-oxo-Delta(1) steroid 5119
                                              3-oxo-Delta(1),Delta(4)-steroid 5119
                                                paraminabeolide C 0
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