Diffutidin (CHEBI:185728)

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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	Diffutidin

ChEBI ID	CHEBI:185728

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H18O5

Net Charge

Average Mass

302.326

Monoisotopic Mass

302.11542

InChI

InChI=1S/C17H18O5/c1-20-15-5-3-10(7-17(15)21-2)14-6-4-12-13(19)8-11(18)9-16(12)22-14/h3,5,7-9,14,18-19H,4,6H2,1-2H3/t14-/m0/s1

InChIKey

NMMYBAVYBMEWOL-AWEZNQCLSA-N

SMILES

O1[C@@H](CCC=2C1=CC(O)=CC2O)C3=CC(OC)=C(OC)C=C3

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Diffutidin (CHEBI:185728) is a ether (CHEBI:25698) Diffutidin (CHEBI:185728) is a flavonoids (CHEBI:72544)

IUPAC Name

(2S)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol