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CHEBI:168322 - 3-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one

ChEBI IDCHEBI:168322
ChEBI Name3-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O5
Net Charge0
Average Mass262.261
Monoisotopic Mass262.08412
SMILESCC(C)(O)C1Oc2cc3oc(=O)ccc3cc2C1O
InChIInChI=1S/C14H14O5/c1-14(2,17)13-12(16)8-5-7-3-4-11(15)18-9(7)6-10(8)19-13/h3-6,12-13,16-17H,1-2H3
InChIKeyAIQSGHBQRRSBCN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one (CHEBI:168322) is a psoralens (CHEBI:26369)
IUPAC Name 
3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0131630HMDB
156313ChemSpider
Registry NumbersSources
CAS:51580-96-2ChemIDplus