EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191552 - Menthoside

ChEBI IDCHEBI:191552
ChEBI NameMenthoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O17
Net Charge0
Average Mass740.667
Monoisotopic Mass740.19525
SMILESCC1OC(OCC2OC(Oc3cc(O)c4c(=O)cc(-c5ccc(OC(=O)/C=C/c6ccc(O)c(O)c6)cc5)oc4c3)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C36H36O17/c1-15-29(42)31(44)33(46)35(49-15)48-14-26-30(43)32(45)34(47)36(53-26)51-19-11-22(39)28-23(40)13-24(52-25(28)12-19)17-4-6-18(7-5-17)50-27(41)9-3-16-2-8-20(37)21(38)10-16/h2-13,15,26,29-39,42-47H,14H2,1H3/b9-3+
InChIKeyVFFCBWDFYBEZAX-YCRREMRBSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Menthoside (CHEBI:191552) is a flavonoids (CHEBI:72544)
Menthoside (CHEBI:191552) is a glycoside (CHEBI:24400)
IUPAC Name 
[4-[5-hydroxy-4-oxo-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-yl]phenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0037350HMDB