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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:regelin
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Accession:CHEBI:132619 term browser browse the term
Definition:A pentacyclic triterpenoid with formula C31H48O4, originally isolated from the roots of Tripterygium regelii.
Synonyms:related_synonym: Formula=C31H48O4;   InChI=1S/C31H48O4/c1-18-19(26(34)35-8)17-24(33)29(5)15-16-30(6)20(25(18)29)9-10-22-28(4)13-12-23(32)27(2,3)21(28)11-14-31(22,30)7/h9,18-19,21-22,24-25,33H,10-17H2,1-8H3/t18-,19+,21-,22+,24-,25+,28-,29-,30+,31+/m0/s1;   InChIKey=YQPSLCRGQUNTRC-JXIPVQOYSA-N;   Methyl 3-oxo-22-hydroxyurs-12-en-30-oic acid;   Regelin C;   SMILES=C1C(=O)C([C@@]2(CC[C@@]3([C@](CC=C4[C@]3(CC[C@@]5([C@@]4([C@H]([C@@H](C[C@@H]5O)C(OC)=O)C)[H])C)C)([C@]2(C1)C)[H])C)[H])(C)C
 xref: CAS:109974-21-2;   PMID:17250858;   PMID:2801129;   PMID:3664820;   Pubchem:163808


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Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      application 19707
        fuel 11370
          methanol 3975
            methyl ester 3921
              regelin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      chalcogen 19581
                        oxygen atom 19553
                          oxygen molecular entity 19553
                            hydroxides 19358
                              organic hydroxy compound 18968
                                alcohol 15748
                                  aliphatic alcohol 11940
                                    alkyl alcohol 11850
                                      methanol 3975
                                        methyl ester 3921
                                          regelin 0
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