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CHEBI:174864 - 3-Hydroxy-2,9-dimethoxypterocarpan

Default Structure
ChEBI IDCHEBI:174864
ChEBI Name3-Hydroxy-2,9-dimethoxypterocarpan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O5
Net Charge0
Average Mass300.310
Monoisotopic Mass300.09977
SMILESCOc1ccc2c(c1)OC1c3cc(OC)c(O)cc3OCC21
InChIInChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-14-7-13(18)16(20-2)6-11(14)17(12)22-15(10)5-9/h3-7,12,17-18H,8H2,1-2H3
InChIKeyYVBGQNQUTOVRER-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-2,9-dimethoxypterocarpan (CHEBI:174864) is a pterocarpans (CHEBI:26377)
IUPAC Name 
2,9-dimethoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-3-ol
Manual XrefsDatabases
24843008ChemSpider
HMDB0033861HMDB
LMPK12070063LIPID MAPS