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ONTOLOGY REPORT - ANNOTATIONS


Term:ajugalactone
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Accession:CHEBI:27984 term browser browse the term
Definition:A 12-oxo steroid that has formula C29H40O8.
Synonyms:exact_synonym: (22R)-2beta,3beta,14,20-tetrahydroxy-22,26-epoxy-5beta-stigmasta-7,24-diene-6,12,26-trione
 related_synonym: Formula=C29H40O8;   InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24+,26+,27-,28+,29+/m0/s1;   InChIKey=LLPOMLNTBDOEOC-LYUHEGIFSA-N;   SMILES=[H][C@@]1(CC(CC)=C(C)C(=O)O1)[C@](C)(O)[C@@]1([H])CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC(=O)[C@]12C
 alt_id: CHEBI:22276;   CHEBI:2526
 xref: Beilstein:7400413 "Beilstein";   CAS:42975-12-2 "ChemIDplus";   CAS:42975-12-2 "KEGG COMPOUND";   KEGG:C08810;   KNApSAcK:C00003642


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          carbon atom 0
            organic molecular entity 0
              lipid 0
                steroid 0
                  steroid lactone 0
                    ajugalactone 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
                                      carboxylic ester 0
                                        lactone 0
                                          steroid lactone 0
                                            ajugalactone 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.