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CHEBI:192901 - Jujubasaponin VI

Default Structure
ChEBI IDCHEBI:192901
ChEBI NameJujubasaponin VI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H68O14
Net Charge0
Average Mass796.992
Monoisotopic Mass796.46091
SMILESCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C6C7(CC45CO7)OC4CC(C(C)(C)O)OC46C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C42H68O14/c1-19-27(44)29(46)31(48)34(51-19)54-32-30(47)28(45)21(16-43)52-35(32)53-24-12-13-38(6)22(36(24,2)3)11-14-39(7)23(38)10-9-20-33-40(8)26(15-25(55-40)37(4,5)49)56-42(33)17-41(20,39)18-50-42/h19-35,43-49H,9-18H2,1-8H3
InChIKeyUVECFACYEYHBAX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Jujubasaponin VI (CHEBI:192901) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[18-(2-hydroxypropan-2-yl)-2,6,6,10,16-pentamethyl-17,21,23-trioxaheptacyclo[20.2.1.01,14.02,11.05,10.015,22.016,20]pentacosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
HMDB0040946HMDB