Flaccidine (CHEBI:187266)

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	Flaccidine

ChEBI ID	CHEBI:187266

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H22O9

Net Charge

Average Mass

442.420

Monoisotopic Mass

442.12638

InChI

InChI=1S/C23H22O9/c1-6-11(2)23(27)32-22-18(26)17-13(24)10-14(25)20(30-5)21(17)31-19(22)12-7-8-15(28-3)16(9-12)29-4/h6-10,24-25H,1-5H3/b11-6-

InChIKey

NSTVGBOIHUUJLX-WDZFZDKYSA-N

SMILES

O1C2=C(C(=O)C(OC(=O)/C(/C)=C\C)=C1C3=CC(OC)=C(OC)C=C3)C(O)=CC(O)=C2OC

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	Flaccidine (CHEBI:187266) is a ether (CHEBI:25698) Flaccidine (CHEBI:187266) is a flavonoids (CHEBI:72544)

IUPAC Name

[2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4-oxochromen-3-yl] (Z)-2-methylbut-2-enoate