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CHEBI:189494 - Calocarpin

Default Structure
ChEBI IDCHEBI:189494
ChEBI NameCalocarpin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O4
Net Charge0
Average Mass324.376
Monoisotopic Mass324.13616
SMILESCC(C)=CCc1cc2c(cc1O)OCC1c3ccc(O)cc3OC21
InChIInChI=1S/C20H20O4/c1-11(2)3-4-12-7-15-18(9-17(12)22)23-10-16-14-6-5-13(21)8-19(14)24-20(15)16/h3,5-9,16,20-22H,4,10H2,1-2H3
InChIKeyCYXCYFYWIZXENQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Calocarpin (CHEBI:189494) is a pterocarpans (CHEBI:26377)
IUPAC Name 
2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-3,9-diol
Manual XrefsDatabases
24842983ChemSpider
HMDB0133799HMDB
LMPK12070012LIPID MAPS