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CHEBI:191717 - 3-O-Methylglycyrol

ChEBI IDCHEBI:191717
ChEBI Name3-O-Methylglycyrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O6
Net Charge0
Average Mass380.396
Monoisotopic Mass380.12599
SMILESCOc1cc2oc(=O)c3c4ccc(O)cc4oc3c2c(OC)c1CC=C(C)C
InChIInChI=1S/C22H20O6/c1-11(2)5-7-14-15(25-3)10-17-19(20(14)26-4)21-18(22(24)28-17)13-8-6-12(23)9-16(13)27-21/h5-6,8-10,23H,7H2,1-4H3
InChIKeyACDSUMGMZHXCRO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
3-O-Methylglycyrol (CHEBI:191717) is a coumestans (CHEBI:72577)
IUPAC Name 
9-hydroxy-1,3-dimethoxy-2-(3-methylbut-2-enyl)-[1]benzouro[3,2-c]chromen-6-one
Manual XrefsDatabases
HMDB0033883HMDB
LMPK12090047LIPID MAPS
4477913ChemSpider
Registry NumbersSources
CAS:23013-85-6ChemIDplus