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CHEBI:193357 - Thonningine B

Default Structure
ChEBI IDCHEBI:193357
ChEBI NameThonningine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O7
Net Charge0
Average Mass408.406
Monoisotopic Mass408.12090
SMILESC=C(C)c1cc2c(OC)c3c(O)c(-c4ccc(OC)cc4)c(=O)oc3c(OC)c2o1
InChIInChI=1S/C23H20O7/c1-11(2)15-10-14-19(27-4)17-18(24)16(12-6-8-13(26-3)9-7-12)23(25)30-21(17)22(28-5)20(14)29-15/h6-10,24H,1H2,2-5H3
InChIKeyJFOIHGHOZIMXTP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Thonningine B (CHEBI:193357) is a psoralens (CHEBI:26369)
IUPAC Name 
5-hydroxy-4,9-dimethoxy-6-(4-methoxyphenyl)-2-prop-1-en-2-yluro[3,2-g]chromen-7-one
Manual XrefsDatabases
10289947ChemSpider
LMPK12160033LIPID MAPS