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CHEBI:200791 - C1-11 thermocryptoxanthin-11

ChEBI IDCHEBI:200791
ChEBI NameC1-11 thermocryptoxanthin-11
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H86O7
Net Charge0
Average Mass883.308
Monoisotopic Mass882.63736
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](OC3OC(COC(=O)CCCCCCCC(C)C)C(O)C(O)C3O)CC2(C)C)C(C)(C)CCC1
InChIInChI=1S/C57H86O7/c1-40(2)23-16-14-13-15-17-31-51(58)62-39-50-52(59)53(60)54(61)55(64-50)63-47-37-46(8)49(57(11,12)38-47)35-33-44(6)29-21-27-42(4)25-19-18-24-41(3)26-20-28-43(5)32-34-48-45(7)30-22-36-56(48,9)10/h18-21,24-29,32-35,40,47,50,52-55,59-61H,13-17,22-23,30-31,36-39H2,1-12H3/b19-18+,26-20+,27-21+,34-32+,35-33+,41-24+,42-25+,43-28+,44-29+/t47-,50?,52?,53?,54?,55?/m1/s1
InChIKeyAOPPEYCPJLSBEA-QANPBWBJSA-N
Species of MetaboliteComponentSourceComments
Thermus thermophilus (ncbitaxon:274) - PubMed (8661926)
ChEBI Ontology
Outgoing Relation(s)
C1-11 thermocryptoxanthin-11 (CHEBI:200791) is a xanthophyll (CHEBI:27325)
IUPAC Name 
[3,4,5-trihydroxy-6-[(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxyoxan-2-yl]methyl 9-methyldecanoate
Manual XrefsDatabases
78445072ChemSpider