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CHEBI:193491 - Thonningine A

ChEBI IDCHEBI:193491
ChEBI NameThonningine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H18O8
Net Charge0
Average Mass422.389
Monoisotopic Mass422.10017
SMILESC=C(C)c1cc2c(OC)c3c(O)c(-c4ccc5c(c4)OCO5)c(=O)oc3c(OC)c2o1
InChIInChI=1S/C23H18O8/c1-10(2)14-8-12-19(26-3)17-18(24)16(11-5-6-13-15(7-11)29-9-28-13)23(25)31-21(17)22(27-4)20(12)30-14/h5-8,24H,1,9H2,2-4H3
InChIKeyDHHUFQCTMOFVTD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Thonningine A (CHEBI:193491) is a psoralens (CHEBI:26369)
IUPAC Name 
6-(1,3-benzodioxol-5-yl)-5-hydroxy-4,9-dimethoxy-2-prop-1-en-2-yluro[3,2-g]chromen-7-one
Manual XrefsDatabases
LMPK12160034LIPID MAPS
10289948ChemSpider