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CHEBI:210812 - Cyathiformine A

Default Structure
ChEBI IDCHEBI:210812
ChEBI NameCyathiformine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O7
Net Charge0
Average Mass270.237
Monoisotopic Mass270.07395
SMILESC=C(O[C@@H]1C=C(C(=O)OC)[C@H]2O[C@H]2[C@H]1O)C(=O)OC
InChIInChI=1S/C12H14O7/c1-5(11(14)16-2)18-7-4-6(12(15)17-3)9-10(19-9)8(7)13/h4,7-10,13H,1H2,2-3H3/t7-,8+,9-,10+/m1/s1
InChIKeyXDDVCQKECCSPCY-RGOKHQFPSA-N
Species of MetaboliteComponentSourceComments
Clitocybe (ncbitaxon:50966) - DOI (10.1016/s0040-4020(01)87202-1)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cyathiformine A (CHEBI:210812) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
methyl (1R,4R,5S,6S)-5-hydroxy-4-(3-methoxy-3-oxoprop-1-en-2-yl)oxy-7-oxabicyclo[4.1.0]hept-2-ene-2-carboxylate
Manual XrefsDatabases
8260012ChemSpider