EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67236 - attenoside

ChEBI IDCHEBI:67236
ChEBI Nameattenoside
Stars
DefinitionAn acyclic diterpene glycoside consisting of a 20-hydroxygeranyllinalool skeleton conjugated to two disaccharide units at C-3 and C-20.
Last Modified22 November 2019
Submittermwilliams
DownloadsMolfile
FormulaC44H74O21
Net Charge0
Average Mass939.055
Monoisotopic Mass938.47226
SMILESC=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C44H74O21/c1-7-44(6,65-42-37(57)34(54)38(27(19-47)62-42)63-40-35(55)31(51)28(48)24(5)59-40)16-10-15-22(3)12-8-11-21(2)13-9-14-23(4)20-58-43-39(33(53)30(50)26(18-46)61-43)64-41-36(56)32(52)29(49)25(17-45)60-41/h7,11,14-15,24-43,45-57H,1,8-10,12-13,16-20H2,2-6H3/b21-11+,22-15+,23-14-/t24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+/m0/s1
InChIKeyCWAXZXSFUDEMIX-ZIKBFGBNSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
attenoside (CHEBI:67236) has role metabolite (CHEBI:25212)
attenoside (CHEBI:67236) is a disaccharide derivative (CHEBI:63353)
attenoside (CHEBI:67236) is a diterpene glycoside (CHEBI:71939)
attenoside (CHEBI:67236) is a sophoroside (CHEBI:145470)
IUPAC Name 
(2Z,6E,10E,14S)-14-{[4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Registry NumbersSources
Reaxys:15811856Reaxys
Citations