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CHEBI:227468 - (3R,4S)-4-hydroxy-6-methoxy-7-chloromellein

ChEBI IDCHEBI:227468
ChEBI Name(3R,4S)-4-hydroxy-6-methoxy-7-chloromellein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H11ClO5
Net Charge0
Average Mass258.657
Monoisotopic Mass258.02950
SMILESCOc1cc2c(c(O)c1Cl)C(=O)O[C@H](C)[C@H]2O
InChIInChI=1S/C11H11ClO5/c1-4-9(13)5-3-6(16-2)8(12)10(14)7(5)11(15)17-4/h3-4,9,13-14H,1-2H3/t4-,9-/m1/s1
InChIKeyUPALKCDWIDYZDP-ALFREKQPSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1016/j.tetlet.2015.12.024)
ChEBI Ontology
Outgoing Relation(s)
(3R,4S)-4-hydroxy-6-methoxy-7-chloromellein (CHEBI:227468) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4S)-7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
58196448ChemSpider