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CHEBI:201223 - Pestaloficiol R

ChEBI IDCHEBI:201223
ChEBI NamePestaloficiol R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCC1(C)CC(=O)c2cc(O)cc(CC(=O)O)c2O1
InChIInChI=1S/C13H14O5/c1-13(2)6-10(15)9-5-8(14)3-7(4-11(16)17)12(9)18-13/h3,5,14H,4,6H2,1-2H3,(H,16,17)
InChIKeyPCVLATRMMDDOHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (23353656)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol R (CHEBI:201223) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
2-(6-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-8-yl)acetic acid
Manual XrefsDatabases
78434688ChemSpider