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CHEBI:174747 - 1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman

ChEBI IDCHEBI:174747
ChEBI Name1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESCOc1cc(-c2c(O)c(O)cc3c2COCC3)ccc1O
InChIInChI=1S/C16H16O5/c1-20-14-7-10(2-3-12(14)17)15-11-8-21-5-4-9(11)6-13(18)16(15)19/h2-3,6-7,17-19H,4-5,8H2,1H3
InChIKeyNTXDKLARYKJXCA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman (CHEBI:174747) is a methoxybenzenes (CHEBI:51683)
1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman (CHEBI:174747) is a phenols (CHEBI:33853)
IUPAC Name 
8-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-1H-isochromene-6,7-diol
Manual XrefsDatabases
HMDB0029303HMDB
30776769ChemSpider