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CHEBI:175510 - Lansiumarin A

ChEBI IDCHEBI:175510
ChEBI NameLansiumarin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILESC=C(C)C(=O)CC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C21H20O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12H,1,4,6,10H2,2-3H3/b14-8+
InChIKeyXWVDCVZOOVTJKF-RIYZIHGNSA-N
ChEBI Ontology
Outgoing Relation(s)
Lansiumarin A (CHEBI:175510) is a psoralens (CHEBI:26369)
IUPAC Name 
9-[(2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy]uro[3,2-g]chromen-7-one
Manual XrefsDatabases
9966973ChemSpider
HMDB0034837HMDB