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CHEBI:200745 - 4-chloro-6-methoxymellein

ChEBI IDCHEBI:200745
ChEBI Name4-chloro-6-methoxymellein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11ClO4
Net Charge0
Average Mass242.658
Monoisotopic Mass242.03459
SMILESCOc1cc(O)c2c(c1)[C@H](Cl)[C@H](C)OC2=O
InChIInChI=1S/C11H11ClO4/c1-5-10(12)7-3-6(15-2)4-8(13)9(7)11(14)16-5/h3-5,10,13H,1-2H3/t5-,10+/m0/s1
InChIKeyHRWTZNIONMJBRK-XUOSJQGZSA-N
Species of MetaboliteComponentSourceComments
Lachnum (ncbitaxon:47817) - PubMed (7730162)
ChEBI Ontology
Outgoing Relation(s)
4-chloro-6-methoxymellein (CHEBI:200745) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,4S)-4-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78436152ChemSpider