Epoxydine B (CHEBI:216947)

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	Epoxydine B

ChEBI ID	CHEBI:216947

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12O7

Net Charge

Average Mass

268.221

Monoisotopic Mass

268.05830

InChI

InChI=1S/C12H12O7/c13-5-6-4-7(14)10(16)11(9(6)15)19-12(17)8-2-1-3-18-8/h1-4,7,10-11,13-14,16H,5H2/t7-,10-,11-/m1/s1

InChIKey

IUPQIDXKBSJTMR-AVPPRXQKSA-N

SMILES

O=C1C(=C[C@@H](O)[C@H]([C@@H]1OC(=O)C=2OC=CC2)O)CO

Metabolite of Species	Details
Phomaspecies (NCBI:txid1707701)	See: PubMed

ChEBI Ontology
Outgoing	Epoxydine B (CHEBI:216947) has functional parent 2-furoic acid (CHEBI:30845) Epoxydine B (CHEBI:216947) is a carboxylic ester (CHEBI:33308)

IUPAC Name

[(1S,5R,6R)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] uran-2-carboxylate