CHEBI:142534 - dihydroalstonine(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 dihydroalstonine(1+)
ChEBI ID CHEBI:142534
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 C21H23N2O3
Net Charge +1
Average Mass 351.420
Monoisotopic Mass 351.17032
InChI InChI=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
InChIKey PFIUINHQUIEFCH-DLLGKBFGSA-N
SMILES C=1C=CC2=C(C1)C=3CC=[N+]4[C@](C3N2)(C[C@]5([C@]([C@@H](OC=C5C(OC)=O)C)(C4)[H])[H])[H]
ChEBI Ontology
Outgoing dihydroalstonine(1+) (CHEBI:142534) is a β-carbolines (CHEBI:60834)
dihydroalstonine(1+) (CHEBI:142534) is a methyl ester (CHEBI:25248)
Synonym Source
dihydroalstonine UniProt
Citation Waiting for Citations Type Source
29942076 PubMed citation SUBMITTER