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CHEBI:194545 - 6-O-demethylthebaine zwitterion

ChEBI IDCHEBI:194545
ChEBI Name6-O-demethylthebaine zwitterion
Stars
ASCII Name6-O-demethylthebaine zwitterion
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H19NO3
Net Charge0
Average Mass297.354
Monoisotopic Mass297.13649
SMILESCOc1ccc2c3c1O[C@H]1C([O-])=CC=C4[C@@H](C2)[NH+](C)CC[C@]431
InChIInChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1
InChIKeyLZBSENLMWCKCPN-UUWFMWQGSA-N
ChEBI Ontology
Outgoing Relation(s)
6-O-demethylthebaine zwitterion (CHEBI:194545) is a ammonium ion derivative (CHEBI:35274)
UniProt Name  Source
6-O-demethylthebaineUniProt
Citations