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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Medicarpin 3-O-(6'-malonylgluclside)
ChEBI ID CHEBI:184506
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O12
Net Charge 0
Average Mass 518.471
Monoisotopic Mass 518.14243
InChI InChI=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)
InChIKey BQAJKXKYTQTBDK-UHFFFAOYSA-N
SMILES O1C2C(C3=C1C=C(OC)C=C3)COC4=C2C=CC(OC5OC(C(O)C(O)C5O)COC(=O)CC(O)=O)=C4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24842980 ChemSpider
HMDB0038776 HMDB
LMPK12070006 LIPID MAPS
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