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Accession:CHEBI:66045 term browser browse the term
Definition:A pentacyclic triterpenoid that is lupan-30-al with a hydroxy substituent at position 28 and an oxo group at position 3 (the 20R stereoisomer) . Isolated from Acacia mellifera, it exhibits cytotoxicity activity against the NSCLC-N6 cell line, derived from a human non-small-cell bronchopulmonary carcinoma.
Synonyms:exact_synonym: (20R)-28-hydroxy-3-oxolupan-29-al
 related_synonym: Formula=C30H48O3;   InChI=1S/C30H48O3/c1-19(17-31)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-27(4)12-11-24(33)26(2,3)22(27)10-13-29(23,28)6/h17,19-23,25,32H,7-16,18H2,1-6H3/t19-,20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1;   InChIKey=CBDKCJANRGOIIK-URCKAGISSA-N;   SMILES=[H][C@]1(CC[C@]2(CO)CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])[C@@H](C)C=O
 xref: PMID:17873838 "Europe PMC";   Reaxys:11155056 "Reaxys"

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  CHEBI ontology 19669
    role 19613
      application 19235
        solvent 16070
          formic acid 7713
            formyl group 7679
              aldehyde 7679
                (20R)-28-hydroxylupen-30-al-3-one 0
Path 2
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  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        carboacyl group 16943
                                          univalent carboacyl group 16943
                                            formyl group 7679
                                              aldehyde 7679
                                                (20R)-28-hydroxylupen-30-al-3-one 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.