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CHEBI:108 - (−)-phaseolin

Default Structure
ChEBI IDCHEBI:108
ChEBI Name(−)-phaseolin
Stars
ASCII Name(-)-phaseolin
DefinitionA prenylated member of the class of pterocarpans and an organic heteropentacyclic compound that is 2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol in which both of the hydrogens at position 3 have been replaced by methyl groups (the R,R stereoisomer). It is found in found in the seeds of Phaseolus vulgaris (French bean) and in the stems of Erythrina subumbrans.
Last Modified12 July 2016
DownloadsMolfile
FormulaC20H20O4
Net Charge0
Average Mass324.376
Monoisotopic Mass324.13616
SMILES[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c2ccc2c1CCC(C)(C)O2
InChIInChI=1S/C20H20O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-6,9,15,19,21H,7-8,10H2,1-2H3/t15-,19-/m0/s1
InChIKeyYAHJJEDSBUXVRQ-KXBFYZLASA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(−)-phaseolin (CHEBI:108) has role plant metabolite (CHEBI:76924)
(−)-phaseolin (CHEBI:108) is a organic heteropentacyclic compound (CHEBI:38164)
(−)-phaseolin (CHEBI:108) is a phenols (CHEBI:33853)
(−)-phaseolin (CHEBI:108) is a pterocarpans (CHEBI:26377)
IUPAC Name 
(6bR,12bR)-3,3-dimethyl-2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol
Synonyms  Source
phaseolinKEGG COMPOUND
phaseollinChEBI
(-)-PhaseollinKEGG COMPOUND
Manual XrefsDatabases
C00002559KNApSAcK
C10514KEGG COMPOUND
HMDB0034173HMDB
LMPK12070020LIPID MAPS
Phaseolin_(pterocarpan)Wikipedia
Registry NumbersSources
CAS:13401-40-6KEGG COMPOUND
CAS:13401-40-6ChemIDplus
Citations