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ONTOLOGY REPORT - ANNOTATIONS


Term:cucurbitacin J
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Accession:CHEBI:3948 term browser browse the term
Definition:A cucurbitacin that is 9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene substituted by hydroxy groups at positions 2, 16, 20, 24 and 25 and oxo groups at positions 1, 11 and 22.
Synonyms:exact_synonym: (4R,9beta,16alpha,24R)-2,16,20,24,25-pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione
 related_synonym: Formula=C30H44O8;   InChI=1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3/t16-,18-,19+,20-,23+,27+,28-,29+,30+/m1/s1;   InChIKey=FBGLZDYMEULGSX-CQPOVTOMSA-N;   SMILES=CC(C)(O)[C@H](O)CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
 xref: CAS:5979-41-9 "KEGG COMPOUND";   KEGG:C08801;   KNApSAcK:C00003690;   LIPID_MAPS_instance:LMST01010111 "LIPID MAPS";   Reaxys:9104858 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19764
    role 19711
      biological role 19710
        biochemical role 19209
          metabolite 19183
            allelochemical 316
              cucurbitacin 44
                cucurbitacin J 0
                  cucurbitacin J 2-O-beta-D-glucopyranoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            organic group 18432
                              organic divalent group 18423
                                organodiyl group 18423
                                  carbonyl group 18311
                                    carbonyl compound 18311
                                      ketone 15925
                                        oxyketone 8483
                                          alpha-oxyketone 8483
                                            alpha-hydroxy ketone 8483
                                              tertiary alpha-hydroxy ketone 8271
                                                cucurbitacin J 0
                                                  cucurbitacin J 2-O-beta-D-glucopyranoside 0
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