EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217793 - 2-methyl-8-hydroxybenzeneheptanoic acid

Default Structure
ChEBI IDCHEBI:217793
ChEBI Name2-methyl-8-hydroxybenzeneheptanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESO=C(O)CCCCC[C@H](O)c1ccccc1CO
InChIInChI=1S/C14H20O4/c15-10-11-6-4-5-7-12(11)13(16)8-2-1-3-9-14(17)18/h4-7,13,15-16H,1-3,8-10H2,(H,17,18)/t13-/m0/s1
InChIKeyBCIBGFOIVNHXJK-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25304895)
ChEBI Ontology
Outgoing Relation(s)
2-methyl-8-hydroxybenzeneheptanoic acid (CHEBI:217793) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(7S)-7-hydroxy-7-[2-(hydroxymethyl)phenyl]heptanoic acid
Manual XrefsDatabases
58118553ChemSpider