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CHEBI:80202 - Thermocryptoxanthin-11

ChEBI IDCHEBI:80202
ChEBI NameThermocryptoxanthin-11
Stars
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](OC3O[C@H](COC(=O)CCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)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-XCPACDMKSA-N
ChEBI Ontology
Outgoing Relation(s)
Thermocryptoxanthin-11 (CHEBI:80202) is a polymer (CHEBI:60027)
Manual XrefsDatabases
C15952KEGG COMPOUND