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CHEBI:191621 - Glucoconvallasaponin B

ChEBI IDCHEBI:191621
ChEBI NameGlucoconvallasaponin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62O15
Net Charge0
Average Mass758.899
Monoisotopic Mass758.40887
SMILESCC1CCC2(OC1)OC1CC3C4CCC5(OC6OCC(O)C(O)C6O)C(O)C(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C38H62O15/c1-16-5-10-38(49-14-16)17(2)26-22(52-38)11-20-18-6-9-37(53-33-30(45)27(42)21(40)15-48-33)32(47)23(50-34-31(46)29(44)28(43)24(13-39)51-34)12-25(41)36(37,4)19(18)7-8-35(20,26)3/h16-34,39-47H,5-15H2,1-4H3
InChIKeyWTBJYOOHMFWKMY-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)
Glucoconvallasaponin B (CHEBI:191621) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[14,17-dihydroxy-5',7,9,13-tetramethyl-18-(3,4,5-trihydroxyoxan-2-yl)oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0034327HMDB