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CHEBI:226639 - 4-chloro-6-hydroxymellein

ChEBI IDCHEBI:226639
ChEBI Name4-chloro-6-hydroxymellein
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SubmitterMetaboLights
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FormulaC10H9ClO4
Net Charge0
Average Mass228.631
Monoisotopic Mass228.01894
SMILESC[C@@H]1OC(=O)c2c(O)cc(O)cc2[C@@H]1Cl
InChIInChI=1S/C10H9ClO4/c1-4-9(11)6-2-5(12)3-7(13)8(6)10(14)15-4/h2-4,9,12-13H,1H3/t4-,9+/m0/s1
InChIKeyWYUIOVYIGXNMKO-AJAUBTJJSA-N
Species of MetaboliteComponentSourceComments
Lachnum (ncbitaxon:47817) - PubMed (7730162)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-chloro-6-hydroxymellein (CHEBI:226639) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S,4S)-4-chloro-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78436203ChemSpider