CHEBI:185871 - Hoduloside VIII

ChEBI IDCHEBI:185871
ChEBI NameHoduloside VIII
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H76O18
Net Charge0
Average Mass917.096
Monoisotopic Mass916.50317
SMILESCC(C)(O)/C=C/CC(C)(O)C1C(=O)CC2(COC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C1CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C
InChIInChI=1S/C46H76O18/c1-41(2,57)13-8-14-45(7,58)30-22-9-10-28-43(5)15-12-29(64-39-36(55)32(51)25(49)19-60-39)42(3,4)27(43)11-16-44(28,6)46(22,17-23(30)47)21-62-40-37(56)34(53)33(52)26(63-40)20-61-38-35(54)31(50)24(48)18-59-38/h8,13,22,24-40,48-58H,9-12,14-21H2,1-7H3/b13-8+
InChIKeyRDSYZBZVCGNHLV-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 VIII (CHEBI:185871) is a triterpenoid (CHEBI:36615)
IUPAC Name 
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-4,4,8,10-tetramethyl-3-(3,4,5-trihydroxyoxan-2-yl)oxy-14-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Manual XrefsDatabases
HMDB0040660HMDB