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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:capsanthin 5,6-epoxide
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Accession:CHEBI:91165 term browser browse the term
Definition:A epoxycarotenol that is capsanthin in which the 5,6-double bond has been epoxidised.
Synonyms:exact_synonym: (3S,3'S,5R,5'R,6S)-3,3'-dihydroxy-5,6-dihydro-5,6-epoxy-beta,kappa-caroten-6'-one
 related_synonym: (5R,6S)-5,6-epoxi-capsanthin;   Formula=C40H56O4;   InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39+,40-/m0/s1;   InChIKey=QAILMWKAKHIIHL-CRBKEJBVSA-N;   SMILES=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(/C=C/[C@@]12[C@](C[C@@H](O)CC1(C)C)(C)O2)\\C)/C)/C)([C@@]3(C[C@H](CC3(C)C)O)C)=O
 xref: AGR:IND20384816;   CAS:29486-21-3;   HMDB:HMDB0036588;   KNApSAcK:C00023035;   MetaCyc:CPD-7410;   PMID:11032480;   PMID:11312889;   PMID:20460582;   PMID:21535519;   Reaxys:4618987


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Term Annotations click to browse term
  CHEBI ontology 19867
    role 19837
      biological role 19835
        biochemical role 19552
          metabolite 19539
            eukaryotic metabolite 19365
              plant metabolite 17989
                capsanthin 5,6-epoxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19867
    subatomic particle 19865
      composite particle 19865
        hadron 19865
          baryon 19865
            nucleon 19865
              atomic nucleus 19865
                atom 19865
                  main group element atom 19803
                    main group molecular entity 19803
                      s-block molecular entity 19638
                        hydrogen molecular entity 19620
                          hydrides 19141
                            organic hydride 18692
                              organic fundamental parent 18692
                                hydrocarbon 18446
                                  terpene 14069
                                    tetraterpene 600
                                      carotene 600
                                        carotenoid 600
                                          xanthophyll 275
                                            carotenone 82
                                              capsanthin 3
                                                capsanthin 5,6-epoxide 0
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