Koenigine (CHEBI:168437)

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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	Koenigine

ChEBI ID	CHEBI:168437

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H19NO3

Net Charge

Average Mass

309.365

Monoisotopic Mass

309.13649

InChI

InChI=1S/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3

InChIKey

CZZZOTXCAIDYOZ-UHFFFAOYSA-N

SMILES

O1C(C=CC=2C=3NC=4C(C3C=C(C12)C)=CC(OC)=C(O)C4)(C)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	Koenigine (CHEBI:168437) is a carbazoles (CHEBI:48513)

IUPAC Name

8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol