EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191447 - Prupaside

ChEBI IDCHEBI:191447
ChEBI NamePrupaside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O12
Net Charge0
Average Mass552.573
Monoisotopic Mass552.22068
SMILESCOc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2COC2OCC(O)C(O)C2O)cc(OC)c1O
InChIInChI=1S/C27H36O12/c1-33-18-6-13(7-19(34-2)23(18)30)5-15-10-37-26(14-8-20(35-3)24(31)21(9-14)36-4)16(15)11-38-27-25(32)22(29)17(28)12-39-27/h6-9,15-17,22,25-32H,5,10-12H2,1-4H3
InChIKeyGLRJVMYTCIKGGK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Prupaside (CHEBI:191447) is a glycoside (CHEBI:24400)
Prupaside (CHEBI:191447) is a lignan (CHEBI:25036)
IUPAC Name 
2-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0038951HMDB