CHEBI:80208 - Thermobiszeaxanthin-13-13

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Thermobiszeaxanthin-13-13
ChEBI ID CHEBI:80208
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C78H124O14
Net Charge 0
Average Mass 1285.81080
Monoisotopic Mass 1284.89911
InChI InChI=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
InChIKey VONGOBDGENIJJS-GISNKCBBSA-N
SMILES C1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)CCCCCCCCCC(C)C)O[C@H]2CC(C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=3C(C[C@@H](CC3C)OC4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(=O)CCCCCCCCCC(C)C)(C)C)/C)/C)\C)\C)=C(C2)C)(C)C
ChEBI Ontology
Outgoing Thermobiszeaxanthin-13-13 (CHEBI:80208) is a polymer (CHEBI:60027)
Manual Xref Database
C15959 KEGG COMPOUND
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