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CHEBI:100 - (−)-medicarpin

ChEBI IDCHEBI:100
ChEBI Name(−)-medicarpin
Stars
ASCII Name(-)-medicarpin
DefinitionThe (−)-enantiomer of medicarpin.
Last Modified26 May 2015
DownloadsMolfile
FormulaC16H14O4
Net Charge0
Average Mass270.284
Monoisotopic Mass270.08921
SMILES[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc(OC)ccc12
InChIInChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1
InChIKeyNSRJSISNDPOJOP-BBRMVZONSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (22074222) Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
ChEBI Ontology
Outgoing Relation(s)
(−)-medicarpin (CHEBI:100) has role plant metabolite (CHEBI:76924)
(−)-medicarpin (CHEBI:100) is a medicarpin (CHEBI:16114)
(−)-medicarpin (CHEBI:100) is enantiomer of (+)-medicarpin (CHEBI:6714)
Incoming Relation(s)
(+)-medicarpin (CHEBI:6714) is enantiomer of (−)-medicarpin (CHEBI:100)
IUPAC Name 
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Synonyms  Source
(-)-MedicarpinKEGG COMPOUND
medicarpinChemIDplus
UniProt Name  Source
(−)-medicarpinUniProt
Manual XrefsDatabases
C10503KEGG COMPOUND
C00002547KNApSAcK
Registry NumbersSources
Beilstein:1257009Beilstein
CAS:32383-76-9KEGG COMPOUND
CAS:32383-76-9ChemIDplus