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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 19831
    role 19807
      application 19650
        fuel 11353
          methanol 3961
            methyl ester 3908
              regelin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      chalcogen 19534
                        oxygen atom 19509
                          oxygen molecular entity 19509
                            hydroxides 19320
                              organic hydroxy compound 18948
                                alcohol 15693
                                  aliphatic alcohol 11855
                                    alkyl alcohol 11763
                                      methanol 3961
                                        methyl ester 3908
                                          regelin 0
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