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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:peregrinol
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Accession:CHEBI:145550 term browser browse the term
Definition:A labdane diterpenoid that is labdane which has been hydroxylated at position 5 of the decalin ring and in which the 3-methylpentyl substituent (also at position 5 of the decalin ring) has been dehydrogenated to introduce a trans double bond at the 3-4 position and hydroxylated at position 5.
Synonyms:exact_synonym: (1R,2R,4aS,8aS)-1-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-1-ol
 related_synonym: Formula=C20H36O2;   InChI=1S/C20H36O2/c1-15(10-14-21)9-13-20(22)16(2)7-8-17-18(3,4)11-6-12-19(17,20)5/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,19+,20-/m1/s1;   InChIKey=XFADQGUJWIMYJI-UEHSRLBXSA-N;   SMILES=[C@@]1(CC/C(/C)=C/CO)([C@@H](CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C)O
 xref: CAS:17140-23-7;   KNApSAcK:C00023322;   MetaCyc:CPD-20438;   PMID:29315936


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          metabolite 19502
            eukaryotic metabolite 19319
              plant metabolite 17959
                peregrinol 0
                  labd-13Z-ene-9,15,16-triol 0
                  peregrinol diphosphate 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
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            organic hydride 18674
                              organic fundamental parent 18674
                                hydrocarbon 18410
                                  terpene 14029
                                    terpenoid 13728
                                      diterpenoid 13033
                                        labdane diterpenoid 181
                                          peregrinol 0
                                            labd-13Z-ene-9,15,16-triol 0
                                            peregrinol diphosphate 0
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