Talacoumarin B (CHEBI:215476)

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	Talacoumarin B

ChEBI ID	CHEBI:215476

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H14O5

Net Charge

Average Mass

250.250

Monoisotopic Mass

250.08412

InChI

InChI=1S/C13H14O5/c1-7(14)3-9-4-8-5-10(15)6-11(17-2)12(8)18-13(9)16/h4-7,14-15H,3H2,1-2H3/t7-/m0/s1

InChIKey

JJPPIWBBVUMFEW-ZETCQYMHSA-N

SMILES

O=C1OC2=C(OC)C=C(O)C=C2C=C1C[C@@H](O)C

Metabolite of Species	Details
Talaromyces (NCBI:txid5094)	See: PubMed

ChEBI Ontology
Outgoing	Talacoumarin B (CHEBI:215476) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

6-hydroxy-3-[(2S)-2-hydroxypropyl]-8-methoxychromen-2-one