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CHEBI:215875 - (2R,3R)-3,5-dichloro-6-hydroxymellein

ChEBI IDCHEBI:215875
ChEBI Name(2R,3R)-3,5-dichloro-6-hydroxymellein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H8Cl2O4
Net Charge0
Average Mass263.076
Monoisotopic Mass261.97996
SMILESC[C@H]1OC(=O)c2c(O)cc(O)c(Cl)c2[C@H]1Cl
InChIInChI=1S/C10H8Cl2O4/c1-3-8(11)7-6(10(15)16-3)4(13)2-5(14)9(7)12/h2-3,8,13-14H,1H3/t3-,8+/m1/s1
InChIKeyOTFIQWVFKDJIQQ-NHBGOVDGSA-N
Species of MetaboliteComponentSourceComments
Lachnum palmae (ncbitaxon:397619) - PubMed (31298454)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-3,5-dichloro-6-hydroxymellein (CHEBI:215875) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R,4R)-4,5-dichloro-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one