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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:crocetin
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Accession:CHEBI:3918 term browser browse the term
Definition:A 20-carbon dicarboxylic acid which is a diterpenoid and natural carotenoid. Found in the crocus flower, it has been administered as an anti-fatigue dietary supplement.
Synonyms:exact_synonym: (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid;   8,8'-diapocarotene-8,8'-dioic acid
 related_synonym: 8,8'-diapo-8,8'-carotenedioic acid;   8,8'-diapo-psi,psi-carotenedioic acid;   8,8'-diapocarotenedioic acid;   Formula=C20H24O4;   InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+;   InChIKey=PANKHBYNKQNAHN-MQQNZMFNSA-N;   SMILES=CC(\\C=C\\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\\C)C(O)=O;   trans-crocetin
 xref: Beilstein:1715455;   CAS:27876-94-4;   KEGG:C08588;   KNApSAcK:C00003768;   LIPID_MAPS_instance:LMPR0104010020
 xref_mesh: MESH:C010561
 xref: MetaCyc:CPD-8662;   PMID:12065218;   PMID:15605174;   PMID:16272698;   PMID:19358927;   PMID:20041429;   PMID:20803418;   PMID:20854811;   PMID:21031628;   PMID:21112749;   PMID:21224437;   PMID:21466430;   PMID:21741458;   Reaxys:1715455;   Wikipedia:Crocetin
 cyclic_relationship: is_conjugate_acid_of CHEBI:62767



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Path 1
Term Annotations click to browse term
  CHEBI ontology 499
    role 499
      chemical role 425
        antioxidant 43
          crocetin 0
            beta-D-gentiobiosyl crocetin + 0
            beta-D-glucosyl crocetin 0
            bis(beta-D-glucosyl) crocetin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      monocarboxylic acid 92
                                        fatty acid 60
                                          unsaturated fatty acid 4
                                            polyunsaturated fatty acid 4
                                              carotenoic acid 0
                                                crocetin 0
                                                  beta-D-gentiobiosyl crocetin + 0
                                                  beta-D-glucosyl crocetin 0
                                                  bis(beta-D-glucosyl) crocetin 0
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