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CHEBI:198410 - 5-chloro-4,6-dihydroxymellein

ChEBI IDCHEBI:198410
ChEBI Name5-chloro-4,6-dihydroxymellein
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SubmitterMetaboLights
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FormulaC10H9ClO5
Net Charge0
Average Mass244.630
Monoisotopic Mass244.01385
SMILESC[C@H]1OC(=O)c2c(O)cc(O)c(Cl)c2[C@H]1O
InChIInChI=1S/C10H9ClO5/c1-3-9(14)7-6(10(15)16-3)4(12)2-5(13)8(7)11/h2-3,9,12-14H,1H3/t3-,9+/m1/s1
InChIKeyADCGGGYNNDZRRJ-OLLQQOEVSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-chloro-4,6-dihydroxymellein (CHEBI:198410) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R,4R)-5-chloro-4,6,8-trihydroxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78436356ChemSpider