EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189384 - Peniginseng B

ChEBI IDCHEBI:189384
ChEBI NamePeniginseng B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H11NO5
Net Charge0
Average Mass225.200
Monoisotopic Mass225.06372
SMILESO=C(O)CCNC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C10H11NO5/c12-7-2-1-6(5-8(7)13)10(16)11-4-3-9(14)15/h1-2,5,12-13H,3-4H2,(H,11,16)(H,14,15)
InChIKeyNKSUEMJDZZSQTM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Peniginseng B (CHEBI:189384) is a catechols (CHEBI:33566)
IUPAC Name 
3-[(3,4-dihydroxybenzoyl)amino]propanoic acid
Manual XrefsDatabases
56003039ChemSpider