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CHEBI:189971 - Saponin G

Default Structure
ChEBI IDCHEBI:189971
ChEBI NameSaponin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H68O13
Net Charge0
Average Mass780.993
Monoisotopic Mass780.46599
SMILESCC(C)=CC1CC(C)(OC2OC(C)C(O)C(O)C2O)C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1
InChIInChI=1S/C42H68O13/c1-20(2)15-22-16-40(8,55-36-33(49)30(46)28(44)21(3)51-36)34-23-9-10-26-38(6)13-12-27(53-35-32(48)31(47)29(45)24(17-43)52-35)37(4,5)25(38)11-14-39(26,7)41(23)18-42(34,54-22)50-19-41/h15,21-36,43-49H,9-14,16-19H2,1-8H3
InChIKeyAIQVSZGMSMEENK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Saponin G (CHEBI:189971) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-methyl-6-[[2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-16-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0040469HMDB