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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:neurolenin B
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Accession:CHEBI:66621 term browser browse the term
Definition:A germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity.
Synonyms:exact_synonym: (3aS,4S,5R,6S,8Z,10R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,6,7,10,11,11a-decahydrocyclodeca[b]furan-4-yl 3-methylbutanoate
 related_synonym: Formula=C22H30O8;   InChI=1S/C22H30O8/c1-11(2)9-17(25)30-19-18-13(4)21(26)29-15(18)10-12(3)7-8-16(24)22(6,27)20(19)28-14(5)23/h7-8,11-12,15,18-20,27H,4,9-10H2,1-3,5-6H3/b8-7-/t12-,15+,18-,19-,20+,22+/m0/s1;   InChIKey=UVRIFAYGSSDVER-MBZNIOTRSA-N;   SMILES=[H][C@@]12C[C@@H](C)\\C=C/C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2
 xref: PMID:10479310;   PMID:12116880;   Reaxys:9163718


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      biological role 22178
        biochemical role 21449
          metabolite 21397
            neurolenin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            heteroorganic entity 21500
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  carbon oxoacid 19606
                                    carboxylic acid 19602
                                      monocarboxylic acid 18969
                                        fatty acid 17131
                                          short-chain fatty acid 16346
                                            fatty acid 4:0 8394
                                              butyric acid 6807
                                                methylbutyric acid 2457
                                                  isovaleric acid 1682
                                                    neurolenin B 0
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