CHEBI:169698 - Koenimbine

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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 Koenimbine
ChEBI ID CHEBI:169698
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H19NO2
Net Charge 0
Average Mass 293.366
Monoisotopic Mass 293.14158
InChI InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3
InChIKey OSERHKINMDLESD-UHFFFAOYSA-N
SMILES O1C(C=CC=2C=3NC4=C(C3C=C(C12)C)C=C(OC)C=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 Koenimbine (CHEBI:169698) is a carbazoles (CHEBI:48513)
IUPAC Name
8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
Manual Xrefs Databases
87989 ChemSpider
HMDB0030210 HMDB
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Registry Number Type Source
21087-98-9 CAS Registry Number ChemIDplus