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CHEBI:201137 - Cyathiformine D

Default Structure
ChEBI IDCHEBI:201137
ChEBI NameCyathiformine D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O7
Net Charge0
Average Mass272.253
Monoisotopic Mass272.08960
SMILESC=C(O[C@@H]1C=C(C(=O)OC)C[C@@H](O)[C@H]1O)C(=O)OC
InChIInChI=1S/C12H16O7/c1-6(11(15)17-2)19-9-5-7(12(16)18-3)4-8(13)10(9)14/h5,8-10,13-14H,1,4H2,2-3H3/t8-,9-,10-/m1/s1
InChIKeyLXXNOOUDPRVEFK-OPRDCNLKSA-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 D (CHEBI:201137) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
methyl (3R,4R,5R)-4,5-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate
Manual XrefsDatabases
10318354ChemSpider