Cyathiformine D (CHEBI:201137)

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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 D

ChEBI ID	CHEBI:201137

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O7

Net Charge

Average Mass

272.253

Monoisotopic Mass

272.08960

InChI

InChI=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

InChIKey

LXXNOOUDPRVEFK-OPRDCNLKSA-N

SMILES

O=C(OC)C1=C[C@@H](OC(C(=O)OC)=C)[C@H](O)[C@@H](C1)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 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