CHEBI:210812 - Cyathiformine A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cyathiformine A
ChEBI ID CHEBI:210812
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H14O7
Net Charge 0
Average Mass 270.237
Monoisotopic Mass 270.07395
InChI InChI=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
InChIKey XDDVCQKECCSPCY-RGOKHQFPSA-N
SMILES O=C(OC)C1=C[C@@H](OC(C(=O)OC)=C)[C@H](O)[C@H]2[C@@H]1O2
Metabolite of Species Details
Clitocybe (NCBI:txid50966) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
8260012 ChemSpider
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