Cyathiformine C (CHEBI:203791)

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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 C

ChEBI ID	CHEBI:203791

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H15ClO7

Net Charge

Average Mass

306.700

Monoisotopic Mass

306.05063

InChI

InChI=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

InChIKey

YQJPPQJZNBQQCU-XFWSIPNHSA-N

SMILES

Cl[C@H]1C(C(=O)OC)=C[C@@H](OC(C(=O)OC)=C)[C@@H]([C@@H]1O)O

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 )

ChEBI Ontology
Outgoing	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