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CHEBI:180887 - Hoduloside X

Default Structure
ChEBI IDCHEBI:180887
ChEBI NameHoduloside X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H88O23
Net Charge0
Average Mass1093.264
Monoisotopic Mass1092.57164
SMILESCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC4C(C(C)(O)C/C=C/C(C)(C)O)C(=O)CC45COC4OC(CO)C(O)C(O)C4O)C3(C)C)OCC(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C53H88O23/c1-23-33(58)39(64)43(75-45-41(66)38(63)36(61)28(20-55)73-45)47(71-23)76-42-34(59)26(57)21-69-46(42)74-31-13-16-50(6)29(49(31,4)5)12-17-51(7)30(50)11-10-24-32(52(8,68)15-9-14-48(2,3)67)25(56)18-53(24,51)22-70-44-40(65)37(62)35(60)27(19-54)72-44/h9,14,23-24,26-47,54-55,57-68H,10-13,15-22H2,1-8H3/b14-9+
InChIKeyMCLHEEFYPPASJO-NTEUORMPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
Hoduloside X (CHEBI:180887) is a triterpenoid (CHEBI:36615)
IUPAC Name 
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-[3-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-4,4,8,10-tetramethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Manual XrefsDatabases
HMDB0040662HMDB