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CHEBI:191590 - Graecunin G

ChEBI IDCHEBI:191590
ChEBI NameGraecunin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H72O17
Net Charge0
Average Mass885.054
Monoisotopic Mass884.47695
SMILESCC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(COC7OC(C)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C45H72O17/c1-19-8-13-45(56-17-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)58-40-37(53)35(51)33(49)29(60-40)18-55-42-39(36(52)31(47)21(3)57-42)61-41-38(54)34(50)32(48)28(16-46)59-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3
InChIKeyCLTHDRYPLHEQEI-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)
Graecunin G (CHEBI:191590) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[4,5-dihydroxy-6-methyl-2-[[3,4,5-trihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0039514HMDB
138025ChemSpider
Registry NumbersSources
CAS:74350-31-5ChemIDplus