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CHEBI:80208 - Thermobiszeaxanthin-13-13

ChEBI IDCHEBI:80208
ChEBI NameThermobiszeaxanthin-13-13
Stars
DownloadsMolfile
FormulaC78H124O14
Net Charge0
Average Mass1285.836
Monoisotopic Mass1284.89911
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](OC3O[C@H](COC(=O)CCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](OC2O[C@H](COC(=O)CCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]2O)C1
InChIInChI=1S/C78H124O14/c1-53(2)33-25-21-17-15-19-23-27-41-67(79)87-51-65-69(81)71(83)73(85)75(91-65)89-61-47-59(9)63(77(11,12)49-61)45-43-57(7)39-31-37-55(5)35-29-30-36-56(6)38-32-40-58(8)44-46-64-60(10)48-62(50-78(64,13)14)90-76-74(86)72(84)70(82)66(92-76)52-88-68(80)42-28-24-20-16-18-22-26-34-54(3)4/h29-32,35-40,43-46,53-54,61-62,65-66,69-76,81-86H,15-28,33-34,41-42,47-52H2,1-14H3/b30-29+,37-31+,38-32+,45-43+,46-44+,55-35+,56-36+,57-39+,58-40+/t61-,62-,65-,66-,69-,70-,71+,72+,73-,74-,75?,76?/m1/s1
InChIKeyVONGOBDGENIJJS-GISNKCBBSA-N
ChEBI Ontology
Outgoing Relation(s)
Thermobiszeaxanthin-13-13 (CHEBI:80208) is a polymer (CHEBI:60027)
Manual XrefsDatabases
C15959KEGG COMPOUND