EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16368 - 6-hydroxymellein

Default Structure
ChEBI IDCHEBI:16368
ChEBI Name6-hydroxymellein
Stars
DefinitionAn isochromane that is mellein bearing an additional hydroxy substituent at the 6-position.
Secondary ChEBI IDsCHEBI:2199, CHEBI:12218, CHEBI:20730
Last Modified13 November 2017
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILES[H][C@@]1(C)Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3/t5-/m1/s1
InChIKeyDHLPMLVSBRRUGA-RXMQYKEDSA-N
ChEBI Ontology
Outgoing Relation(s)
6-hydroxymellein (CHEBI:16368) has functional parent mellein (CHEBI:38760)
6-hydroxymellein (CHEBI:16368) is a isochromanes (CHEBI:38762)
IUPAC Name 
(3R)-6,8-dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
Synonyms  Source
3,4-Dihydro-6,8-dihydroxy-3-methylisocoumarinChemIDplus
(3R)-3,4-dihydro-6,8-dihydroxy-3-methyl-isocoumarinChEBI
6,8-Dihydroxy-3-methyl-3,4-dihydroisocoumarinChemIDplus
(−)-6-hydroxymelleinChEBI
6-HydroxymelleinKEGG COMPOUND
(R)-(−)-6-hydroxymelleinChEBI
UniProt Name  Source
6-hydroxymelleinUniProt
Manual XrefsDatabases
C00000554KNApSAcK
C02379KEGG COMPOUND
C02379KEGG COMPOUND
Registry NumbersSources
Reaxys:3544385Reaxys
CAS:70901-60-9ChemIDplus
Citations