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CHEBI:229106 - Doederleinic acid

ChEBI IDCHEBI:229106
ChEBI NameDoederleinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H8O4
Net Charge0
Average Mass156.137
Monoisotopic Mass156.04226
SMILESO=C(O)C1=C[C@H](O)[C@@H]2O[C@@H]2C1
InChIInChI=1S/C7H8O4/c8-4-1-3(7(9)10)2-5-6(4)11-5/h1,4-6,8H,2H2,(H,9,10)/t4-,5+,6-/m0/s1
InChIKeyFDFYOUAXVFBEGC-JKUQZMGJSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Doederleinic acid (CHEBI:229106) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,5S,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid
Manual XrefsDatabases
4475905ChemSpider