CHEBI:173743 - 1-Phenyl-6,7-dihydroxy-isochroman

ChEBI IDCHEBI:173743
ChEBI Name1-Phenyl-6,7-dihydroxy-isochroman
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O3
Net Charge0
Average Mass242.274
Monoisotopic Mass242.09429
SMILESOc1cc2c(c(-c3ccccc3)c1O)COCC2
InChIInChI=1S/C15H14O3/c16-13-8-11-6-7-18-9-12(11)14(15(13)17)10-4-2-1-3-5-10/h1-5,8,16-17H,6-7,9H2
InChIKeyVRLJYLQPMSKUMO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Phenyl-6,7-dihydroxy-isochroman (CHEBI:173743) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
8-phenyl-3,4-dihydro-1H-isochromene-6,7-diol
Manual XrefsDatabases
HMDB0029302HMDB
30776768ChemSpider