Cralactone B (CHEBI:218301)

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	Cralactone B

ChEBI ID	CHEBI:218301

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H20O6

Net Charge

Average Mass

320.341

Monoisotopic Mass

320.12599

InChI

InChI=1S/C17H20O6/c1-8-5-11-10(3)14(17(20)7-9(2)22-16(17)19)15(18)23-13(11)6-12(8)21-4/h5-6,9-10,14,20H,7H2,1-4H3/t9-,10+,14-,17+/m0/s1

InChIKey

JFFZSQOMBRRERP-JUUSLBMCSA-N

SMILES

O=C1OC2=C(C=C(C)C(=C2)OC)[C@H]([C@@H]1[C@@]3(O)C(=O)O[C@H](C3)C)C

Metabolite of Species	Details
Craterellus odoratus (NCBI:txid57198)	See: PubMed

ChEBI Ontology
Outgoing	Cralactone B (CHEBI:218301) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

(3R,4S)-3-[(3R,5S)-3-hydroxy-5-methyl-2-oxooxolan-3-yl]-7-methoxy-4,6-dimethyl-3,4-dihydrochromen-2-one