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CHEBI:205829 - Quadricinctone D

ChEBI IDCHEBI:205829
ChEBI NameQuadricinctone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESC[C@@]1(CO)CC(=O)c2cc(C(=O)O)ccc2O1
InChIInChI=1S/C12H12O5/c1-12(6-13)5-9(14)8-4-7(11(15)16)2-3-10(8)17-12/h2-4,13H,5-6H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyBQORGGZWUSKAST-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27438842)
ChEBI Ontology
Outgoing Relation(s)
Quadricinctone D (CHEBI:205829) is a chromones (CHEBI:23238)
IUPAC Name 
(2S)-2-(hydroxymethyl)-2-methyl-4-oxo-3H-chromene-6-carboxylic acid
Manual XrefsDatabases
58197075ChemSpider