CHEBI:80203 - Thermocryptoxanthin-13

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ChEBI Name Thermocryptoxanthin-13
ChEBI ID CHEBI:80203
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C59H90O7
Net Charge 0
Average Mass 911.344
Monoisotopic Mass 910.66866
InChI InChI=1S/C59H90O7/c1-42(2)25-18-16-14-13-15-17-19-33-53(60)64-41-52-54(61)55(62)56(63)57(66-52)65-49-39-48(8)51(59(11,12)40-49)37-35-46(6)31-23-29-44(4)27-21-20-26-43(3)28-22-30-45(5)34-36-50-47(7)32-24-38-58(50,9)10/h20-23,26-31,34-37,42,49,52,54-57,61-63H,13-19,24-25,32-33,38-41H2,1-12H3/b21-20+,28-22+,29-23+,36-34+,37-35+,43-26+,44-27+,45-30+,46-31+/t49-,52-,54-,55+,56-,57?/m1/s1
InChIKey JEEGARLDXJKPPW-LTDAZHCASA-N
SMILES C=1(C(C[C@@H](CC1C)OC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)COC(=O)CCCCCCCCCC(C)C)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=3C(CCCC3C)(C)C)\C)\C)/C)/C
ChEBI Ontology
Outgoing Thermocryptoxanthin-13 (CHEBI:80203) is a polymer (CHEBI:60027)
Manual Xref Database
C15954 KEGG COMPOUND
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Last Modified
20 February 2018