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CHEBI:184506 - Medicarpin 3-O-(6'-malonylgluclside)

Default Structure
ChEBI IDCHEBI:184506
ChEBI NameMedicarpin 3-O-(6'-malonylgluclside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O12
Net Charge0
Average Mass518.471
Monoisotopic Mass518.14243
SMILESCOc1ccc2c(c1)OC1c3ccc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21
InChIInChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)
InChIKeyBQAJKXKYTQTBDK-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)
Medicarpin 3-O-(6'-malonylgluclside) (CHEBI:184506) is a pterocarpans (CHEBI:26377)
IUPAC Name 
3-oxo-3-[[3,4,5-trihydroxy-6-[(9-methoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-3-yl)oxy]oxan-2-yl]methoxy]propanoic acid
Manual XrefsDatabases
24842980ChemSpider
HMDB0038776HMDB
LMPK12070006LIPID MAPS