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ONTOLOGY REPORT - ANNOTATIONS


Term:methyl prednisolone-16alpha-carboxylate
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Accession:CHEBI:47890 term browser browse the term
Definition:A methyl prednisolone-16-carboxylate that has formula C23H30O7.
Synonyms:exact_synonym: methyl 11beta,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16alpha-carboxylate
 related_synonym: 16alpha-methoxycarbonylprednisolone;   Formula=C23H30O7;   InChI=1S/C23H30O7/c1-21-7-6-13(25)8-12(21)4-5-14-15-9-16(20(28)30-3)23(29,18(27)11-24)22(15,2)10-17(26)19(14)21/h6-8,14-17,19,24,26,29H,4-5,9-11H2,1-3H3/t14-,15-,16-,17-,19+,21-,22-,23-/m0/s1;   InChIKey=SNIXVWCOGOOOGH-UAHQIDPDSA-N;   SMILES=[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])C[C@@H](C(=O)OC)[C@]1(O)C(=O)CO;   methyl (11beta,16alpha)-11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate;   methyl 11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione-16-carboxylic acid
 xref: Beilstein:4213580;   CAS:111802-47-2


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          prednisolone 0
            prednisolone-16-carboxylic acid 0
              methyl prednisolone-16-carboxylate 0
                methyl prednisolone-16alpha-carboxylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      ketone 0
                                        cyclic ketone 0
                                          3-oxo steroid 0
                                            3-oxo-Delta(4) steroid 0
                                              3-oxo-Delta(1),Delta(4)-steroid 0
                                                Delta(1)-progesterone 0
                                                  prednisolone 0
                                                    prednisolone-16-carboxylic acid 0
                                                      prednisolone-16alpha-carboxylic acid 0
                                                        methyl prednisolone-16alpha-carboxylate 0
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