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ONTOLOGY REPORT - ANNOTATIONS


Term:kansuiphorin B
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Accession:CHEBI:66139 term browser browse the term
Definition:A tetracyclic diterpenoid that is 6,7-epoxy-13-hydroxyingenol in which the hydroxy groups at positions 3, 13 and 20 are esterified by 2,3-dimethylbutyric acid, lauric acid and palmitic acid. Isolated from the roots of Euphorbia kansui, it exhibits anti-cancerous activity.
Synonyms:exact_synonym: [(1aR,2R,2aR,3aS,5R,5aS,8S,8aS,9S,9aS)-8-[(2,3-dimethylbutanoyl)oxy]-3a-(dodecanoyloxy)-8a,9-dihydroxy-3,3,5,7-tetramethyl-10-oxo-2,2a,3,3a,4,5,8a,9-octahydro-1aH-2,5a-methanocyclopenta[4,5]cyclopropa[8,9]cyclodeca[1,2-b]oxiren-9a(8H)-yl]methyl hexadecanoate
 related_synonym: 6,7-epoxy-13-hydroxyingenol-3-(2,3-dimethylbutanoate)-13-dodecanoate-20-hexadecanoate;   Formula=C54H90O10;   Hexadecanoic acid,(8-(2,3-dimethyl-1-oxobutoxy)- 1a,2,2a,3a,4,5,8a,9-octahydro-8a,9-dihydroxy-3,3,5,7- tetramethyl-10-oxo-3a-((1-oxododecyl)oxy)-3H-2,5a- methanocyclopenta(4,5)cyclopropa(8,9)cyclodec(1,2-b)oxiren- 9a(8H)-yl)methyl ester;   InChI=1S/C54H90O10/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-41(55)61-36-52-47(64-52)43-44-50(8,9)53(44,63-42(56)33-31-29-27-24-19-17-15-13-11-2)35-39(6)51(45(43)57)34-38(5)46(54(51,60)49(52)59)62-48(58)40(7)37(3)4/h34,37,39-40,43-44,46-47,49,59-60H,10-33,35-36H2,1-9H3/t39-,40?,43+,44-,46+,47-,49-,51+,52-,53+,54-/m1/s1;   InChIKey=DQVMDPSQAAGKSN-LZYXWQDISA-N;   SMILES=[H][C@]12O[C@@]1(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]1(O)[C@@H](OC(=O)C(C)C(C)C)C(C)=C[C@@]11[C@H](C)C[C@]3(OC(=O)CCCCCCCCCCC)[C@]([H])([C@@]2([H])C1=O)C3(C)C
 xref: CAS:135928-39-1;   PMID:1955882;   Reaxys:8306034


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Term Annotations click to browse term
  CHEBI ontology 19790
    role 19738
      biological role 19737
        biochemical role 19232
          metabolite 19208
            kansuiphorin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19790
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19674
                    p-block element atom 19674
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18475
                              organic divalent group 18468
                                organodiyl group 18468
                                  carbonyl group 18366
                                    carbonyl compound 18366
                                      carboxylic acid 18034
                                        monocarboxylic acid 17285
                                          fatty acid 15823
                                            short-chain fatty acid 15513
                                              fatty acid 4:0 7013
                                                butyric acid 5288
                                                  dimethylbutyric acid 0
                                                    2,3-dimethylbutyric acid 0
                                                      kansuiphorin B 0
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