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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:3beta,6beta,23-trihydroxyolean-12-en-28-oic acid
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Accession:CHEBI:69369 term browser browse the term
Definition:A pentacyclic triterpenoid that is oleanolic acid substituted by additional hydroxy groups at positions 6 and 23. It has been isolated from Kalopanax pictus.
Synonyms:related_synonym: Formula=C30H48O5;   InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-21-26(3)10-9-22(33)27(4,17-31)23(26)20(32)16-29(21,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26+,27+,28+,29+,30-/m0/s1;   InChIKey=XRRLUGUSXUFEDF-NJMQRACMSA-N;   SMILES=CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
 xref: PMID:21870831;   Reaxys:10506694


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  CHEBI ontology 5076
    role 5041
      application 884
        anti-inflammatory agent 75
          3beta,6beta,23-trihydroxyolean-12-en-28-oic acid 0
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  CHEBI ontology 5076
    subatomic particle 5067
      composite particle 5067
        hadron 5067
          baryon 5067
            nucleon 5067
              atomic nucleus 5067
                atom 5067
                  main group element atom 5037
                    main group molecular entity 5036
                      s-block molecular entity 4967
                        hydrogen molecular entity 4960
                          hydrides 4566
                            organic hydride 4410
                              organic fundamental parent 4410
                                hydrocarbon 4372
                                  terpene 4320
                                    terpenoid 4320
                                      triterpenoid 38
                                        pentacyclic triterpenoid 29
                                          oleanolic acid 29
                                            3beta,6beta,23-trihydroxyolean-12-en-28-oic acid 0
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