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CHEBI:191727 - Egonol gentiobioside

ChEBI IDCHEBI:191727
ChEBI NameEgonol gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O15
Net Charge0
Average Mass650.630
Monoisotopic Mass650.22107
SMILESCOc1cc(CCCOC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc2cc(-c3ccc4c(c3)OCO4)oc12
InChIInChI=1S/C31H38O15/c1-39-20-8-14(7-16-10-18(44-29(16)20)15-4-5-17-19(9-15)43-13-42-17)3-2-6-40-30-27(37)26(36)24(34)22(46-30)12-41-31-28(38)25(35)23(33)21(11-32)45-31/h4-5,7-10,21-28,30-38H,2-3,6,11-13H2,1H3
InChIKeyNBGJGWFIDMDCAW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Egonol gentiobioside (CHEBI:191727) is a benzofurans (CHEBI:35259)
IUPAC Name 
2-[[6-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzouran-5-yl]propoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0034281HMDB