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CHEBI:203478 - 4-chloro-6,7-dihydroxymellein

ChEBI IDCHEBI:203478
ChEBI Name4-chloro-6,7-dihydroxymellein
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H9ClO5
Net Charge0
Average Mass244.630
Monoisotopic Mass244.01385
SMILESC[C@@H]1OC(=O)c2c(O)cc(O)c(O)c2[C@@H]1Cl
InChIInChI=1S/C10H9ClO5/c1-3-8(11)7-6(10(15)16-3)4(12)2-5(13)9(7)14/h2-3,8,12-14H,1H3/t3-,8+/m0/s1
InChIKeyFXVNXBBYKCQDIS-FIQSIYOXSA-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-6,7-dihydroxymellein (CHEBI:203478) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S,4S)-4-chloro-5,6,8-trihydroxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78436159ChemSpider