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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:caesalpinin D
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Accession:CHEBI:65540 term browser browse the term
Definition:A diterpenoid lactone isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial activity.
Synonyms:exact_synonym: (3bS,5aR,6S,6aR,10S,10aS,10bS,10cR)-6a-hydroxy-7,7,10a-trimethyl-4-oxo-3b,5a,6,6a,7,8,9,10,10a,10b,10c,11-dodecahydro-4H-phenanthro[3,2-b:10,1-b'c']difuran-6,10-diyl diacetate
 related_synonym: Formula=C24H30O8;   InChI=1S/C24H30O8/c1-11(25)30-16-6-8-22(3,4)24(28)20(31-12(2)26)19-18-14(23(16,24)5)10-15-13(7-9-29-15)17(18)21(27)32-19/h7,9,14,16-20,28H,6,8,10H2,1-5H3/t14-,16-,17+,18+,19+,20-,23-,24+/m0/s1;   InChIKey=QAYOIGPJKWWLOT-WXRFRXGMSA-N;   SMILES=[H][C@@]12OC(=O)[C@]3([H])c4ccoc4C[C@@]([H])([C@@]13[H])[C@@]1(C)[C@H](CCC(C)(C)[C@]1(O)[C@H]2OC(C)=O)OC(C)=O
 xref: PMID:15921414;   Reaxys:10734902


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Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      biological role 19866
        biochemical role 19571
          metabolite 19558
            caesalpinin D 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  carbon oxoacid 18675
                                    carboxylic acid 18672
                                      monocarboxylic acid 18017
                                        acetic acid 11094
                                          acetate ester 4060
                                            caesalpinin D 0
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