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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:3alpha-hydroxyglycyrrhetinic acid
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Accession:CHEBI:16317 term browser browse the term
Definition:A pentacyclic triterpenoid that has formula C30H46O4.
Synonyms:exact_synonym: 3alpha-hydroxy-11-oxoolean-12-en-30-oic acid
 related_synonym: 3-alpha-hydroxyglycyrrhetinate;   3alpha-Hydroxyglycyrrhetinate;   3betaH-glycyrrhetinate;   3betaH-glycyrrhetinic acid;   Formula=C30H46O4;   InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22+,23+,26+,27-,28-,29+,30+/m0/s1;   InChIKey=MPDGHEJMBKOTSU-GBWCSKBLSA-N;   SMILES=[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
 alt_id: CHEBI:11906;   CHEBI:1714;   CHEBI:19958
 xref: KEGG:C03930
 cyclic_relationship: is_conjugate_acid_of CHEBI:57729


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  CHEBI ontology 2
    role 2
      biological role 2
        immunomodulator 1
          glycyrrhetinic acid 0
            3alpha-hydroxyglycyrrhetinic acid 0
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  CHEBI ontology 2
    subatomic particle 2
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        hadron 2
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              atomic nucleus 2
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                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        alicyclic ketone 0
                                          cyclic terpene ketone 0
                                            glycyrrhetinic acid 0
                                              3alpha-hydroxyglycyrrhetinic acid 0
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