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CHEBI:191538 - Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside

Default Structure
ChEBI IDCHEBI:191538
ChEBI NameAlliosterol 1-(4''-galactosylrhamnoside) 16-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H76O18
Net Charge0
Average Mass905.085
Monoisotopic Mass904.50317
SMILESCC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(O)CC(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C4(C)C3CCC21C
InChIInChI=1S/C45H76O18/c1-18(2)7-10-26(49)19(3)31-27(59-42-37(55)34(52)32(50)28(16-46)60-42)15-25-23-9-8-21-13-22(48)14-30(45(21,6)24(23)11-12-44(25,31)5)62-41-39(57)36(54)40(20(4)58-41)63-43-38(56)35(53)33(51)29(17-47)61-43/h8,18-20,22-43,46-57H,7,9-17H2,1-6H3
InChIKeyRPMXUCNWRIVIFQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
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)
Alliosterol 1-(4''-galactosylrhamnoside) 16-galactoside (CHEBI:191538) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[[1-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0038346HMDB