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CHEBI:185835 - 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan

Default Structure
ChEBI IDCHEBI:185835
ChEBI Name2,8-Dihydroxy-3,9,10-trimethoxypterocarpan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O7
Net Charge0
Average Mass346.335
Monoisotopic Mass346.10525
SMILESCOc1cc2c(cc1O)C1Oc3c(cc(O)c(OC)c3OC)C1CO2
InChIInChI=1S/C18H18O7/c1-21-14-6-13-9(5-11(14)19)15-10(7-24-13)8-4-12(20)17(22-2)18(23-3)16(8)25-15/h4-6,10,15,19-20H,7H2,1-3H3
InChIKeyRJKDCHOJONROOJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2,8-Dihydroxy-3,9,10-trimethoxypterocarpan (CHEBI:185835) is a pterocarpans (CHEBI:26377)
IUPAC Name 
3,9,10-trimethoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-2,8-diol
Manual XrefsDatabases
24843012ChemSpider
LMPK12070070LIPID MAPS