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CHEBI:226825 - (R)-7-chloro-6-methoxy-8-O-methylmellein

ChEBI IDCHEBI:226825
ChEBI Name(R)-7-chloro-6-methoxy-8-O-methylmellein
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13ClO4
Net Charge0
Average Mass256.685
Monoisotopic Mass256.05024
SMILESCOc1cc2c(c(OC)c1Cl)C(=O)O[C@H](C)C2
InChIInChI=1S/C12H13ClO4/c1-6-4-7-5-8(15-2)10(13)11(16-3)9(7)12(14)17-6/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyCEVYTSLKVABAMH-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Periconia (ncbitaxon:97971) - DOI (10.1016/j.tet.2019.130470)
ChEBI Ontology
Outgoing Relation(s)
(R)-7-chloro-6-methoxy-8-O-methylmellein (CHEBI:226825) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-7-chloro-6,8-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one