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CHEBI:168074 - 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-2H,8H,9H-furo[2,3-h]chromen-2-one

ChEBI IDCHEBI:168074
ChEBI Name5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-2H,8H,9H-furo[2,3-h]chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O5
Net Charge0
Average Mass304.342
Monoisotopic Mass304.13107
SMILESCCCc1cc(=O)oc2c3c(cc(O)c12)OC(C(C)(C)O)C3
InChIInChI=1S/C17H20O5/c1-4-5-9-6-14(19)22-16-10-7-13(17(2,3)20)21-12(10)8-11(18)15(9)16/h6,8,13,18,20H,4-5,7H2,1-3H3
InChIKeyIPPMWNRCSYXBEP-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)
5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-2H,8H,9H-furo[2,3-h]chromen-2-one (CHEBI:168074) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-8,9-dihydrouro[2,3-h]chromen-2-one
Manual XrefsDatabases
74852759ChemSpider
HMDB0130120HMDB