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CHEBI:180252 - Hemileiocarpin

Default Structure
ChEBI IDCHEBI:180252
ChEBI NameHemileiocarpin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O4
Net Charge0
Average Mass336.387
Monoisotopic Mass336.13616
SMILES[H][C@@]12COc3c(ccc4c3C=CC(C)(C)O4)[C@]1([H])Oc1cc(OC)ccc12
InChIInChI=1S/C21H20O4/c1-21(2)9-8-14-17(25-21)7-6-15-19(14)23-11-16-13-5-4-12(22-3)10-18(13)24-20(15)16/h4-10,16,20H,11H2,1-3H3/t16-,20-/m0/s1
InChIKeyLQTXWAQTXRQFQG-JXFKEZNVSA-N
ChEBI Ontology
Outgoing Relation(s)
Hemileiocarpin (CHEBI:180252) is a pterocarpans (CHEBI:26377)
IUPAC Name 
(2R,10R)-6-methoxy-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaene
Manual XrefsDatabases
34992932ChemSpider
Registry NumbersSources
CAS:66446-92-2ChemIDplus