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CHEBI:218765 - Cis-7-chloro-4-hydroxymellein

ChEBI IDCHEBI:218765
ChEBI NameCis-7-chloro-4-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(ccc(Cl)c2O)[C@H]1O
InChIInChI=1S/C10H9ClO4/c1-4-8(12)5-2-3-6(11)9(13)7(5)10(14)15-4/h2-4,8,12-13H,1H3/t4-,8+/m1/s1
InChIKeyFHGHJJYPQAOONX-VHWMUFPASA-N
Species of MetaboliteComponentSourceComments
Tuberculariaspecies TF5 (ncbitaxon:252395) - DOI (10.1002/hlca.201300101)
ChEBI Ontology
Outgoing Relation(s)
Cis-7-chloro-4-hydroxymellein (CHEBI:218765) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4R)-7-chloro-4,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78441368ChemSpider