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CHEBI:213940 - 5-chloro-6-hydroxymellein

ChEBI IDCHEBI:213940
ChEBI Name5-chloro-6-hydroxymellein
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FormulaC10H9ClO4
Net Charge0
Average Mass228.631
Monoisotopic Mass228.01894
SMILESC[C@@H]1Cc2c(Cl)c(O)cc(O)c2C(=O)O1
InChIInChI=1S/C10H9ClO4/c1-4-2-5-8(10(14)15-4)6(12)3-7(13)9(5)11/h3-4,12-13H,2H2,1H3/t4-/m1/s1
InChIKeyMKFJHHDROMDROC-SCSAIBSYSA-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-6-hydroxymellein (CHEBI:213940) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-5-chloro-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
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8736751ChemSpider