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CHEBI:185988 - Mabioside D

Default Structure
ChEBI IDCHEBI:185988
ChEBI NameMabioside D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70O14
Net Charge0
Average Mass799.008
Monoisotopic Mass798.47656
SMILESCC(C)=CCC1OC2(O)C(C3CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O
InChIInChI=1S/C42H70O14/c1-19(2)10-13-26-41(9,50)33-21-11-12-24-38(6)16-15-25(37(4,5)23(38)14-17-39(24,7)40(21,8)36(49)42(33,51)56-26)55-35-32(48)30(46)28(44)22(54-35)18-52-34-31(47)29(45)27(43)20(3)53-34/h10,20-36,43-51H,11-18H2,1-9H3
InChIKeyORJZPSXCNAQWIV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Mabioside D (CHEBI:185988) is a triterpenoid (CHEBI:36615)
IUPAC Name 
1,2,7,13,17,17-hexamethyl-6-(3-methylbut-2-enyl)-16-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-3,4,7-triol
Manual XrefsDatabases
HMDB0040655HMDB