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CHEBI:185164 - Hoduloside VI

Default Structure
ChEBI IDCHEBI:185164
ChEBI NameHoduloside VI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H68O14
Net Charge0
Average Mass784.981
Monoisotopic Mass784.46091
SMILESCC(C)(O)/C=C/CC(C)(O)C1C(=O)CC2(COC3OC(CO)C(O)C(O)C3O)C1CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C
InChIInChI=1S/C41H68O14/c1-36(2,50)13-8-14-40(7,51)28-21-9-10-26-38(5)15-12-27(55-34-32(48)29(45)23(44)19-52-34)37(3,4)25(38)11-16-39(26,6)41(21,17-22(28)43)20-53-35-33(49)31(47)30(46)24(18-42)54-35/h8,13,21,23-35,42,44-51H,9-12,14-20H2,1-7H3/b13-8+
InChIKeyVBKOGDDRGMIPNJ-MDWZMJQESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Hoduloside VI (CHEBI:185164) is a triterpenoid (CHEBI:36615)
IUPAC Name 
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-4,4,8,10-tetramethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Manual XrefsDatabases
HMDB0040658HMDB