EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199115 - 4,8-dihydroxy-3-hydroxymethyl-4xi-methyl-1,4-dihydronaphthalene-1-one

ChEBI IDCHEBI:199115
ChEBI Name4,8-dihydroxy-3-hydroxymethyl-4xi-methyl-1,4-dihydronaphthalene-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESC[C@]1(O)C(CO)=CC(=O)c2c(O)cccc21
InChIInChI=1S/C12H12O4/c1-12(16)7(6-13)5-10(15)11-8(12)3-2-4-9(11)14/h2-5,13-14,16H,6H2,1H3/t12-/m0/s1
InChIKeyYONLIYCLDYCHEV-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces rimosus (ncbitaxon:1927) - PubMed (16506700)
ChEBI Ontology
Outgoing Relation(s)
4,8-dihydroxy-3-hydroxymethyl-4xi-methyl-1,4-dihydronaphthalene-1-one (CHEBI:199115) is a naphthalenes (CHEBI:25477)
IUPAC Name 
4,8-dihydroxy-3-(hydroxymethyl)-4-methylnaphthalen-1-one
Manual XrefsDatabases
9739562ChemSpider