Cyathiformine B (CHEBI:207678)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 B

ChEBI ID	CHEBI:207678

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O8

Net Charge

Average Mass

288.252

Monoisotopic Mass

288.08452

InChI

InChI=1S/C12H16O8/c1-5(11(16)18-2)20-7-4-6(12(17)19-3)8(13)10(15)9(7)14/h4,7-10,13-15H,1H2,2-3H3/t7-,8+,9+,10-/m1/s1

InChIKey

VTWHFQDOQSSIID-XFWSIPNHSA-N

SMILES

O=C(OC)C1=C[C@@H](OC(C(=O)OC)=C)[C@H](O)[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 B (CHEBI:207678) is a 3-hydroxy carboxylic acid (CHEBI:61355)

IUPAC Name

methyl (3R,4R,5R,6S)-4,5,6-trihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate