EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209577 - Guignardic acid

ChEBI IDCHEBI:209577
ChEBI NameGuignardic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O5
Net Charge0
Average Mass262.261
Monoisotopic Mass262.08412
SMILESCC(C)[C@@]1(C(=O)O)OC(=O)/C(=C/c2ccccc2)O1
InChIInChI=1S/C14H14O5/c1-9(2)14(13(16)17)18-11(12(15)19-14)8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)/b11-8-/t14-/m0/s1
InChIKeyUDHDTCIFHXXHPE-MSKHEQNASA-N
Species of MetaboliteComponentSourceComments
Guignardiaspecies (ncbitaxon:1715232) - PubMed (26577190)
ChEBI Ontology
Outgoing Relation(s)
Guignardic acid (CHEBI:209577) is a ketal (CHEBI:59777)
IUPAC Name 
(2S,4Z)-4-benzylidene-5-oxo-2-propan-2-yl-1,3-dioxolane-2-carboxylic acid
Manual XrefsDatabases
9443506ChemSpider