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CHEBI:218499 - (3R,4R)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one

ChEBI IDCHEBI:218499
ChEBI Name(3R,4R)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESC[C@H]1OC(=O)c2c(O)ccc(CO)c2[C@@H]1O
InChIInChI=1S/C11H12O5/c1-5-10(14)8-6(4-12)2-3-7(13)9(8)11(15)16-5/h2-3,5,10,12-14H,4H2,1H3/t5-,10-/m1/s1
InChIKeyZHWRNRQCZZTGIO-GPXNAGAYSA-N
Species of MetaboliteComponentSourceComments
Hypoxylonspecies (ncbitaxon:1896109) - PubMed (28671852)
ChEBI Ontology
Outgoing Relation(s)
(3R,4R)-4,8-dihydroxy-5-(hydroxymethyl)-3-methylisochroman-1-one (CHEBI:218499) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4S)-4,8-dihydroxy-5-(hydroxymethyl)-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78439432ChemSpider