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CHEBI:171800 - Lansiumarin C

ChEBI IDCHEBI:171800
ChEBI NameLansiumarin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESC=C(C)C(O)CC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C21H22O5/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/h5,7-9,11-12,17,22H,1,4,6,10H2,2-3H3/b14-8+
InChIKeyDBHLROWQWPSCQG-RIYZIHGNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Lansiumarin C (CHEBI:171800) is a psoralens (CHEBI:26369)
IUPAC Name 
9-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]uro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0034838HMDB
8673721ChemSpider