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CHEBI:211984 - Thermobiszeaxanthin Z2-13-13

ChEBI IDCHEBI:211984
ChEBI NameThermobiszeaxanthin Z2-13-13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC79H126O13
Net Charge0
Average Mass1283.864
Monoisotopic Mass1282.91984
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)CCCCCCCCCC(C)C)C(O)C(O)C3O)CC2(C)C)C(C)(C)C[C@H](OC2CC(COC(=O)CCCCCCCCCC(C)C)C(O)C(O)C2O)C1
InChIInChI=1S/C79H126O13/c1-54(2)33-25-21-17-15-19-23-27-41-69(80)88-52-62-49-67(72(83)74(85)71(62)82)90-63-47-60(9)65(78(11,12)50-63)45-43-58(7)39-31-37-56(5)35-29-30-36-57(6)38-32-40-59(8)44-46-66-61(10)48-64(51-79(66,13)14)91-77-76(87)75(86)73(84)68(92-77)53-89-70(81)42-28-24-20-16-18-22-26-34-55(3)4/h29-32,35-40,43-46,54-55,62-64,67-68,71-77,82-87H,15-28,33-34,41-42,47-53H2,1-14H3/b30-29+,37-31+,38-32+,45-43+,46-44+,56-35+,57-36+,58-39+,59-40+/t62?,63-,64-,67?,68?,71?,72?,73?,74?,75?,76?,77?/m1/s1
InChIKeyXKGARDDRAURUEV-RUTLOKHXSA-N
Species of MetaboliteComponentSourceComments
Thermus thermophilus (ncbitaxon:274) - PubMed (8661926)
ChEBI Ontology
Outgoing Relation(s)
Thermobiszeaxanthin Z2-13-13 (CHEBI:211984) is a xanthophyll (CHEBI:27325)
IUPAC Name 
[2,3,4-trihydroxy-5-[(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-[3,4,5-trihydroxy-6-(11-methyldodecanoyloxymethyl)oxan-2-yl]oxycyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxycyclohexyl]methyl 11-methyldodecanoate
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