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CHEBI:226819 - (3R,4S)-5-chloro-4-hydroxy-6-methoxymellein

Default Structure
ChEBI IDCHEBI:226819
ChEBI Name(3R,4S)-5-chloro-4-hydroxy-6-methoxymellein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11ClO5
Net Charge0
Average Mass258.657
Monoisotopic Mass258.02950
SMILESCOc1cc(O)c2c(c1Cl)[C@H](O)[C@@H](C)OC2=O
InChIInChI=1S/C11H11ClO5/c1-4-10(14)8-7(11(15)17-4)5(13)3-6(16-2)9(8)12/h3-4,10,13-14H,1-2H3/t4-,10-/m1/s1
InChIKeyZRBJNIDTSWQEKH-PHNJOPHVSA-N
Species of MetaboliteComponentSourceComments
Periconia (ncbitaxon:97971) - DOI (10.1016/j.tet.2019.130470)
ChEBI Ontology
Outgoing Relation(s)
(3R,4S)-5-chloro-4-hydroxy-6-methoxymellein (CHEBI:226819) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4S)-5-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one