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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 23699
    chemical entity 23660
      atom 23646
        nonmetal atom 23290
          carbon atom 23143
            organic molecular entity 23143
              lipid 19517
                steroid 13462
                  steroid lactone 360
                    ajugalactone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23699
    subatomic particle 23646
      composite particle 23646
        hadron 23646
          baryon 23646
            nucleon 23646
              atomic nucleus 23646
                atom 23646
                  main group element atom 23465
                    p-block element atom 23465
                      carbon group element atom 23166
                        carbon atom 23143
                          organic molecular entity 23143
                            organic group 21827
                              organic divalent group 21797
                                organodiyl group 21797
                                  carbonyl group 21768
                                    carbonyl compound 21768
                                      carboxylic ester 14736
                                        lactone 6073
                                          steroid lactone 360
                                            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.