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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:1-oxo-3beta-hydroxyolean-18-ene
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Accession:CHEBI:67942 term browser browse the term
Definition:A pentacyclic triterpenoid that is olean-18-ene substituted by a beta-hydroxy group at position 3 and oxo group at position 1. It has been isolated from the leaves and twigs of Juglans sinensis.
Synonyms:exact_synonym: 3beta-hydroxyolean-18-en-1-one
 related_synonym: Formula=C30H48O2;   InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h18-19,21-23,31H,9-17H2,1-8H3/t19-,21+,22+,23+,27-,28-,29-,30+/m1/s1;   InChIKey=PKZZYOJERITBAM-HBSCMMAFSA-N;   SMILES=CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]43C)C2=C1
 xref: PMID:21309591;   Reaxys:21448535


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Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      biological role 22178
        biochemical role 21449
          metabolite 21397
            eukaryotic metabolite 21256
              plant metabolite 19135
                1-oxo-3beta-hydroxyolean-18-ene 0
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Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            heteroorganic entity 21500
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  carbonyl compound 20188
                                    ketone 17972
                                      cyclic ketone 16398
                                        alicyclic ketone 1150
                                          cyclic terpene ketone 151
                                            1-oxo-3beta-hydroxyolean-18-ene 0
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