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CHEBI:185792 - Neofolin

ChEBI IDCHEBI:185792
ChEBI NameNeofolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O7
Net Charge0
Average Mass366.325
Monoisotopic Mass366.07395
SMILESCOc1cc2c(cc1-c1cc3cc4ccoc4c(OC)c3oc1=O)OCO2
InChIInChI=1S/C20H14O7/c1-22-14-8-16-15(25-9-26-16)7-12(14)13-6-11-5-10-3-4-24-17(10)19(23-2)18(11)27-20(13)21/h3-8H,9H2,1-2H3
InChIKeySUNDAONUHLDQBY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Neofolin (CHEBI:185792) is a psoralens (CHEBI:26369)
IUPAC Name 
9-methoxy-6-(6-methoxy-1,3-benzodioxol-5-yl)uro[3,2-g]chromen-7-one
Manual XrefsDatabases
LMPK12160016LIPID MAPS
24846664ChemSpider