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CHEBI:189944 - Hoduloside VII

Default Structure
ChEBI IDCHEBI:189944
ChEBI NameHoduloside VII
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H78O18
Net Charge0
Average Mass931.123
Monoisotopic Mass930.51882
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(O)C(O)C1O
InChIInChI=1S/C47H78O18/c1-22-31(51)34(54)37(57)40(62-22)65-38-32(52)25(50)20-60-41(38)64-29-13-16-44(6)27(43(29,4)5)12-17-45(7)28(44)11-10-23-30(46(8,59)15-9-14-42(2,3)58)24(49)18-47(23,45)21-61-39-36(56)35(55)33(53)26(19-48)63-39/h9,14,22-23,25-41,48,50-59H,10-13,15-21H2,1-8H3/b14-9+
InChIKeyYAFOSOWHFJFSLN-NTEUORMPSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Hoduloside VII (CHEBI:189944) is a triterpenoid (CHEBI:36615)
IUPAC Name 
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-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
HMDB0040659HMDB