EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215943 - Aplojaveediin F

ChEBI IDCHEBI:215943
ChEBI NameAplojaveediin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESCc1c(CCC(=O)O)cc(O)c(C=O)c1O
InChIInChI=1S/C11H12O5/c1-6-7(2-3-10(14)15)4-9(13)8(5-12)11(6)16/h4-5,13,16H,2-3H2,1H3,(H,14,15)
InChIKeyXQESXFJPSMWQTF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aplosporella javeedii (ncbitaxon:1346708) - PubMed (32238320)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Aplojaveediin F (CHEBI:215943) is a benzenes (CHEBI:22712)
Aplojaveediin F (CHEBI:215943) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-(4-ormyl-3,5-dihydroxy-2-methylphenyl)propanoic acid
Manual XrefsDatabases
128733203ChemSpider