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CHEBI:174544 - Licoagrocarpin

Default Structure
ChEBI IDCHEBI:174544
ChEBI NameLicoagrocarpin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O4
Net Charge0
Average Mass338.403
Monoisotopic Mass338.15181
SMILES[H][C@@]12COc3c(ccc(O)c3CC=C(C)C)[C@]1([H])Oc1cc(OC)ccc12
InChIInChI=1S/C21H22O4/c1-12(2)4-6-15-18(22)9-8-16-20(15)24-11-17-14-7-5-13(23-3)10-19(14)25-21(16)17/h4-5,7-10,17,21-22H,6,11H2,1-3H3/t17-,21-/m0/s1
InChIKeyNYWUHXBEDBSRQB-UWJYYQICSA-N
ChEBI Ontology
Outgoing Relation(s)
Licoagrocarpin (CHEBI:174544) is a pterocarpans (CHEBI:26377)
IUPAC Name 
(6aR,11aR)-9-methoxy-4-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-3-ol
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30838006ChemSpider