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CHEBI:230482 - (20S)-19,20-dihydrovomilenine

ChEBI IDCHEBI:230482
ChEBI Name(20S)-19,20-dihydrovomilenine
Stars
ASCII Name(20S)-19,20-dihydrovomilenine
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@@]12C[C@]3([H])C4[C@@H](OC(C)=O)[C@@]5(C[C@@H]4N1[C@H](O)[C@H]3CC)C2=Nc1ccccc15
InChIInChI=1S/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h4-7,11-12,15-17,19-20,25H,3,8-9H2,1-2H3/t11-,12-,15-,16-,17?,19+,20+,21+/m0/s1
InChIKeyHQZUCSQUBHQEDH-MAPGWTOISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(20S)-19,20-dihydrovomilenine (CHEBI:230482) has functional parent vomilenine (CHEBI:16408)
(20S)-19,20-dihydrovomilenine (CHEBI:230482) is a hemiaminal (CHEBI:73080)
(20S)-19,20-dihydrovomilenine (CHEBI:230482) is a indole alkaloid (CHEBI:38958)
UniProt Name  Source
(20S)-19,20-dihydrovomilenineUniProt
Manual XrefsDatabases
CPD-21573MetaCyc
Citations