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CHEBI:34773 - Gentiobiosyl-caldarchaeol

ChEBI IDCHEBI:34773
ChEBI NameGentiobiosyl-caldarchaeol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC98H192O16
Net Charge0
Average Mass1626.598
Monoisotopic Mass1625.42104
SMILESC[C@@H]1CCC[C@H](C)CCC[C@H](C)CCOCC(CO)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOCC(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC[C@H](C)CCC1
InChIInChI=1S/C98H192O16/c1-71-29-17-33-75(5)41-25-49-83(13)57-61-107-67-87(65-99)109-63-59-85(15)51-27-43-77(7)35-19-31-73(3)39-23-47-81(11)55-53-80(10)46-22-38-72(2)30-18-34-76(6)42-26-50-84(14)58-62-108-68-88(69-111-97-96(106)94(104)92(102)90(114-97)70-112-98-95(105)93(103)91(101)89(66-100)113-98)110-64-60-86(16)52-28-44-78(8)36-20-32-74(4)40-24-48-82(12)56-54-79(9)45-21-37-71/h71-106H,17-70H2,1-16H3/t71-,72-,73-,74-,75+,76+,77+,78+,79-,80-,81-,82-,83+,84+,85+,86+,87?,88?,89-,90-,91-,92-,93+,94+,95-,96-,97-,98-/m1/s1
InChIKeyCRTNZTPGZOLYIO-UAVYQUDZSA-N
ChEBI Ontology
Outgoing Relation(s)
Gentiobiosyl-caldarchaeol (CHEBI:34773) is a glycoside (CHEBI:24400)
Synonyms  Source
Gentiobiosyl-caldarchaeolKEGG COMPOUND
Glcbeta1-6Glcbeta-caldarchaeolKEGG COMPOUND
Manual XrefsDatabases
C13874KEGG COMPOUND