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CHEBI:231029 - Saponin E

ChEBI IDCHEBI:231029
ChEBI NameSaponin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H68O14
Net Charge0
Average Mass796.992
Monoisotopic Mass796.46091
SMILESCC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2
InChIInChI=1S/C42H68O14/c1-20(2)15-22(44)16-41(8)35(56-41)23-9-10-26-39(6)13-12-27(38(4,5)25(39)11-14-40(26,7)42(23)17-28(45)51-19-42)54-37-33(50)34(30(47)24(18-43)53-37)55-36-32(49)31(48)29(46)21(3)52-36/h15,21-27,29-37,43-44,46-50H,9-14,16-19H2,1-8H3
InChIKeyBHPKMBDCWXHRQT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Saponin E (CHEBI:231029) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
7-[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2-[3-(2-hydroxy-4-methylpent-3-enyl)-3-methyloxiran-2-yl]-4b,8,8,10a-tetramethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2'-one
Manual XrefsDatabases
HMDB0035958HMDB