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CHEBI:216267 - Biscogniacid A

ChEBI IDCHEBI:216267
ChEBI NameBiscogniacid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESC[C@]1(O)C=Cc2cc(C(=O)O)ccc2OC1
InChIInChI=1S/C12H12O4/c1-12(15)5-4-8-6-9(11(13)14)2-3-10(8)16-7-12/h2-6,15H,7H2,1H3,(H,13,14)/t12-/m0/s1
InChIKeyWIDNATKKQNWWNR-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Biscogniauxiaspecies (ncbitaxon:1896107) - PubMed (27933865)
ChEBI Ontology
Outgoing Relation(s)
Biscogniacid A (CHEBI:216267) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3S)-3-hydroxy-3-methyl-2H-1-benzoxepine-7-carboxylic acid
Manual XrefsDatabases
78439302ChemSpider