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ONTOLOGY REPORT - ANNOTATIONS


Term:caldariellaquinone
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Accession:CHEBI:73387 term browser browse the term
Definition:A 1-benzothiophene that is 1-benzothiophene-4,7-dione bearing additional methylthio and 3,7,11,15,19,23-hexamethyltetracosyl substituents at positions 5 and 6 respectively. Isolated from Caldariella acidophila.
Synonyms:exact_synonym: 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione
 related_synonym: 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-methylthiobenzo[b]thiophen-4,7-quinone;   Formula=C39H66O2S2;   InChI=1S/C39H66O2S2/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-37(41)39-35(26-27-43-39)36(40)38(34)42-8/h26-33H,9-25H2,1-8H3;   InChIKey=GHRWXPXOBGRSHG-UHFFFAOYSA-N;   SMILES=CSC1=C(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2sccc2C1=O
 xref: CAS:63693-26-5 "ChemIDplus";   MetaCyc:CPD-9612 "SUBMITTER";   PMID:16021 "Europe PMC";   PMID:23194730 "Europe PMC";   PMID:2512282 "SUBMITTER"


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  CHEBI ontology 19754
    role 19701
      biological role 19700
        biochemical role 19201
          metabolite 19174
            caldariellaquinone 0
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  CHEBI ontology 19754
    subatomic particle 19752
      composite particle 19752
        hadron 19752
          baryon 19752
            nucleon 19752
              atomic nucleus 19752
                atom 19752
                  main group element atom 19637
                    p-block element atom 19637
                      carbon group element atom 19528
                        carbon atom 19517
                          organic molecular entity 19517
                            organic group 18422
                              organic divalent group 18414
                                organodiyl group 18414
                                  carbonyl group 18303
                                    carbonyl compound 18303
                                      ketone 15927
                                        cyclic ketone 13368
                                          quinone 8237
                                            p-quinones 8138
                                              caldariellaquinone 0
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