SCHEMBL2830381 (CHEBI:184365)

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	SCHEMBL2830381

ChEBI ID	CHEBI:184365

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H8O5

Net Charge

Average Mass

220.180

Monoisotopic Mass

220.03717

InChI

InChI=1S/C11H8O5/c1-6(12)15-10-5-9-7(4-8(10)13)2-3-11(14)16-9/h2-5,13H,1H3

InChIKey

JTPMKNBTKOMXEG-UHFFFAOYSA-N

SMILES

O1C=2C(=CC(O)=C(OC(=O)C)C2)C=CC1=O

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

ChEBI Ontology
Outgoing	SCHEMBL2830381 (CHEBI:184365) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

(6-hydroxy-2-oxochromen-7-yl) acetate