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CHEBI:80226 - Thermocryptoxanthin

ChEBI IDCHEBI:80226
ChEBI NameThermocryptoxanthin
Stars
DownloadsMolfile
Formula(CH2)n.C53H78O7
Net Charge0
Average Mass841.227
Monoisotopic Mass840.59040
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)CCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)CCC1
InChIInChI=1S/C54H80O7/c1-37(2)20-13-16-28-48(55)59-36-47-49(56)50(57)51(58)52(61-47)60-44-34-43(8)46(54(11,12)35-44)32-30-41(6)26-18-24-39(4)22-15-14-21-38(3)23-17-25-40(5)29-31-45-42(7)27-19-33-53(45,9)10/h14-15,17-18,21-26,29-32,37,44,47,49-52,56-58H,13,16,19-20,27-28,33-36H2,1-12H3/b15-14+,23-17+,24-18+,31-29+,32-30+,38-21+,39-22+,40-25+,41-26+/t44-,47-,49-,50+,51-,52?/m1/s1
InChIKeyWTLSTVUGHKXZSW-DLXZQCMGSA-N
ChEBI Ontology
Outgoing Relation(s)
Thermocryptoxanthin (CHEBI:80226) is a polymer (CHEBI:60027)
Manual XrefsDatabases
C15982KEGG COMPOUND