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ONTOLOGY REPORT - ANNOTATIONS


Term:combretanone B
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Accession:CHEBI:69996 term browser browse the term
Definition:A pentacyclic triterpenoid that is 9beta,19-cyclolanostane substituted by an oxo group at position 3 and hydroxy groups at positions 7, 23R*, 24S*, 25 and 28. It has been isolated from the leaves of Combretum quadrangulare.
Synonyms:exact_synonym: (23R*,24S*)-7beta,23,24,25,28-pentahydroxy-9beta,19-cyclolanostan-3-one
 related_synonym: Formula=C30H50O6;   InChI=1S/C30H50O6/c1-17(13-20(33)24(35)25(2,3)36)18-7-9-28(6)23-19(32)14-21-26(4,16-31)22(34)8-10-29(21)15-30(23,29)12-11-27(18,28)5/h17-21,23-24,31-33,35-36H,7-16H2,1-6H3/t17-,18-,19+,20-,21+,23+,24+,26+,27-,28+,29-,30+/m1/s1;   InChIKey=KIGVCZYFPXRACV-WRPPEDOYSA-N;   SMILES=C[C@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)[C@@]4(C)CO
 xref: PMID:21265555;   Reaxys:21312864


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  CHEBI ontology 19779
    role 19727
      biological role 19726
        biochemical role 19220
          metabolite 19196
            eukaryotic metabolite 18814
              plant metabolite 17320
                combretanone B 0
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  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    p-block element atom 19664
                      carbon group element atom 19559
                        carbon atom 19548
                          organic molecular entity 19548
                            organic group 18463
                              organic divalent group 18456
                                organodiyl group 18456
                                  carbonyl group 18356
                                    carbonyl compound 18356
                                      ketone 16006
                                        oxo steroid 9286
                                          3-oxo steroid 8814
                                            3-oxo-5alpha-steroid 996
                                              combretanone B 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.