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CHEBI:142534 - dihydroalstonine(1+)

ChEBI IDCHEBI:142534
ChEBI Namedihydroalstonine(1+)
Stars
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H23N2O3
Net Charge+1
Average Mass351.426
Monoisotopic Mass351.17032
SMILES[H][C@@]12C[C@]3([H])C(C(=O)OC)=CO[C@@H](C)[C@]3([H])C[N+]1=CCc1c2nc2ccccc12
InChIInChI=1S/C21H23N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,8,11-12,15-16,19,22H,7,9-10H2,1-2H3/q+1/t12-,15-,16-,19-/m0/s1
InChIKeyPFIUINHQUIEFCH-DLLGKBFGSA-N
ChEBI Ontology
Outgoing Relation(s)
dihydroalstonine(1+) (CHEBI:142534) is a methyl ester (CHEBI:25248)
dihydroalstonine(1+) (CHEBI:142534) is a β-carbolines (CHEBI:60834)
UniProt Name  Source
dihydroalstonineUniProt
Citations