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ONTOLOGY REPORT - ANNOTATIONS


Term:23,24-dihydrocucurbitacin B
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Accession:CHEBI:62217 term browser browse the term
Definition:A 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at position 5; a hydroxy function at C-25 is acetylated.
Synonyms:exact_synonym: (2S,4R)-2,16beta,20-trihydroxy-9beta,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate
 related_synonym: 25-acetoxy-2beta,16alpha,20-trihydroxy-10alpha-cucurbit-5-ene-3,11,22-trione;   2beta,16alpha,20,25-tetrahydroxy-9-methyl-19-nor-9beta,10alpha-lanost-5-ene-3,11,22-trione, 25-acetate;   2beta,16alpha,20,25-tetrahydroxy-9-methyl-3,11,22-trioxo-19-nor-9beta,10alpha-lanost-5-en-25-yl acetate;   Formula=C32H48O8;   InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1;   InChIKey=QZJJDOYZVRUEDY-NRNCYQGDSA-N;   SMILES=[H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21C;   dihydrocucurbitacin B
 xref: Reaxys:3189530


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  CHEBI ontology 19758
    role 19705
      biological role 19704
        biochemical role 19206
          metabolite 19180
            allelochemical 317
              cucurbitacin 44
                23,24-dihydrocucurbitacin 0
                  23,24-dihydrocucurbitacin B 0
Path 2
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  CHEBI ontology 19758
    subatomic particle 19756
      composite particle 19756
        hadron 19756
          baryon 19756
            nucleon 19756
              atomic nucleus 19756
                atom 19756
                  main group element atom 19641
                    p-block element atom 19641
                      carbon group element atom 19532
                        carbon atom 19521
                          organic molecular entity 19521
                            organic group 18428
                              organic divalent group 18419
                                organodiyl group 18419
                                  carbonyl group 18309
                                    carbonyl compound 18309
                                      ketone 15948
                                        oxyketone 8487
                                          alpha-oxyketone 8487
                                            alpha-hydroxy ketone 8487
                                              tertiary alpha-hydroxy ketone 8274
                                                23,24-dihydrocucurbitacin 0
                                                  23,24-dihydrocucurbitacin B 0
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