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CHEBI:203791 - Cyathiformine C

Default Structure
ChEBI IDCHEBI:203791
ChEBI NameCyathiformine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15ClO7
Net Charge0
Average Mass306.698
Monoisotopic Mass306.05063
SMILESC=C(O[C@@H]1C=C(C(=O)OC)[C@H](Cl)[C@@H](O)[C@H]1O)C(=O)OC
InChIInChI=1S/C12H15ClO7/c1-5(11(16)18-2)20-7-4-6(12(17)19-3)8(13)10(15)9(7)14/h4,7-10,14-15H,1H2,2-3H3/t7-,8+,9+,10-/m1/s1
InChIKeyYQJPPQJZNBQQCU-XFWSIPNHSA-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 C (CHEBI:203791) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
methyl (3R,4R,5S,6S)-6-chloro-4,5-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate
Manual XrefsDatabases
8148053ChemSpider