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CHEBI:205791 - Quadricinctapyran A

ChEBI IDCHEBI:205791
ChEBI NameQuadricinctapyran A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESC[C@@]1(CO)C=Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C12H12O4/c1-12(7-13)5-4-8-6-9(11(14)15)2-3-10(8)16-12/h2-6,13H,7H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyQQIOGDFWUKNBTD-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27438842)
ChEBI Ontology
Outgoing Relation(s)
Quadricinctapyran A (CHEBI:205791) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(2S)-2-(hydroxymethyl)-2-methylchromene-6-carboxylic acid
Manual XrefsDatabases
58197068ChemSpider