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CHEBI:205785 - Quadricinctone C

ChEBI IDCHEBI:205785
ChEBI NameQuadricinctone C
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SubmitterMetaboLights
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FormulaC12H14O6
Net Charge0
Average Mass254.238
Monoisotopic Mass254.07904
SMILESCc1c(O)cc(O)c2c1[C@@H](C)[C@@](O)(CO)OC2=O
InChIInChI=1S/C12H14O6/c1-5-7(14)3-8(15)10-9(5)6(2)12(17,4-13)18-11(10)16/h3,6,13-15,17H,4H2,1-2H3/t6-,12-/m1/s1
InChIKeyAEEFUJJCLNUIMG-SREIQFSDSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27438842)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Quadricinctone C (CHEBI:205785) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S,4R)-3,6,8-trihydroxy-3-(hydroxymethyl)-4,5-dimethyl-4H-isochromen-1-one