CHEBI:194545 - 6-O-demethylthebaine zwitterion

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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 6-O-demethylthebaine zwitterion
ChEBI ID CHEBI:194545
ChEBI ASCII Name 6-O-demethylthebaine zwitterion
Definition Major species at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C18H19NO3
Net Charge 0
Average Mass 297.354
Monoisotopic Mass 297.13649
InChI InChI=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
InChIKey LZBSENLMWCKCPN-UUWFMWQGSA-N
SMILES C=1([O-])[C@@H]2OC=3C=4[C@@]25CC[NH+]([C@@H](C5=CC1)CC4C=CC3OC)C
ChEBI Ontology
Outgoing 6-O-demethylthebaine zwitterion (CHEBI:194545) is a ammonium ion derivative (CHEBI:35274)
Synonym Source
6-O-demethylthebaine UniProt
Citation Waiting for Citations Type Source
23928311 PubMed citation SUBMITTER