SCHEMBL7286587 (CHEBI:184357)

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	SCHEMBL7286587

ChEBI ID	CHEBI:184357

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H8O5

Net Charge

Average Mass

208.169

Monoisotopic Mass

208.03717

InChI

InChI=1S/C10H8O5/c11-10(12)9-8(15-9)5-1-2-6-7(3-5)14-4-13-6/h1-3,8-9H,4H2,(H,11,12)

InChIKey

ZJUOAJGNUQVJQZ-UHFFFAOYSA-N

SMILES

O1C(C1C(O)=O)C2=CC=3OCOC3C=C2

Metabolite of Species	Details
Bos taurus (NCBI:txid9913)	Found in spermatozoon (BTO:0001277). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study
Bos taurus (NCBI:txid9913)	Found in spermatozoon (FMA:67338). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study

ChEBI Ontology
Outgoing	SCHEMBL7286587 (CHEBI:184357) is a benzodioxoles (CHEBI:38298)

IUPAC Name

3-(1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid