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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:Dinoxin B
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Accession:CHEBI:70027 term browser browse the term
Definition:A withanolide that has formula C34H48O11.
Synonyms:related_synonym: 12,21-dihydroxy-1-oxowitha-2,5,24-trienolide-27-O-beta-D-glucopyranoside;   Ergosta-2,5,24-trien-26-oic acid, 27-(beta-Dglucopyranosyloxy)-12,21,22-trihydroxy-1-oxo, delta-lactone;   Formula=C34H48O11;   InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1;   InChIKey=LZMUHRZRHBVVTP-MHEOYVQJSA-N;   SMILES=[H][C@@]1(CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1)[C@@H](CO)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C
 xref: PMID:21280589



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  CHEBI ontology 499
    role 499
      biological role 499
        biochemical role 459
          metabolite 450
            Dinoxin B 0
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  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  ester 108
                                    carboxylic ester 102
                                      lactone 43
                                        steroid lactone 22
                                          withanolide 0
                                            Dinoxin B 0
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