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CHEBI:168178 - Pratenol A

ChEBI IDCHEBI:168178
ChEBI NamePratenol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12O5
Net Charge0
Average Mass260.245
Monoisotopic Mass260.06847
SMILESCC1(O)OC(=O)C=C1C1=COc2cc(O)ccc2C1
InChIInChI=1S/C14H12O5/c1-14(17)11(6-13(16)19-14)9-4-8-2-3-10(15)5-12(8)18-7-9/h2-3,5-7,15,17H,4H2,1H3
InChIKeyAICICGKRUHSXCE-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)
Pratenol A (CHEBI:168178) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
5-hydroxy-4-(7-hydroxy-4H-chromen-3-yl)-5-methyluran-2-one
Manual XrefsDatabases
HMDB0040630HMDB
35014983ChemSpider