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CHEBI:202694 - Shikimeran A

Default Structure
ChEBI IDCHEBI:202694
ChEBI NameShikimeran A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O5
Net Charge0
Average Mass214.217
Monoisotopic Mass214.08412
SMILESCOC(=O)C1=C[C@@H](O)[C@H](OC(C)=O)CC1
InChIInChI=1S/C10H14O5/c1-6(11)15-9-4-3-7(5-8(9)12)10(13)14-2/h5,8-9,12H,3-4H2,1-2H3/t8-,9-/m1/s1
InChIKeyZEQHTIZCTRWTEP-RKDXNWHRSA-N
Species of MetaboliteComponentSourceComments
Chaetomiumspecies (ncbitaxon:1769349) - DOI (10.1016/j.tet.2016.08.022)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Shikimeran A (CHEBI:202694) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
methyl (3R,4R)-4-acetyloxy-3-hydroxycyclohexene-1-carboxylate