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CHEBI:142834 - (+)-vincadifformine

ChEBI IDCHEBI:142834
ChEBI Name(+)-vincadifformine
Stars
DefinitionAn aspidosperma alkaloid that is the methyl ester of 2,3-didehydroaspidospermidine-3-carboxylic acid.
Last Modified17 August 2023
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H26N2O2
Net Charge0
Average Mass338.451
Monoisotopic Mass338.19943
SMILES[H][C@@]12N3CCC[C@]1(CC)CC(C(=O)OC)=C1Nc4ccccc4[C@]12CC3
InChIInChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21-/m1/s1
InChIKeyGIGFIWJRTMBSRP-NJDAHSKKSA-N
Species of MetaboliteComponentSourceComments
Alstonia spatulata (IPNI:76595-1) leaf (BTO:0000713) PubMed (21043460)
Roles Classification
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)
(+)-vincadifformine (CHEBI:142834) is a Aspidosperma alkaloid (CHEBI:142772)
(+)-vincadifformine (CHEBI:142834) is conjugate base of (+)-vincadifformine(1+) (CHEBI:142830)
(+)-vincadifformine (CHEBI:142834) is enantiomer of (−)-vincadifformine (CHEBI:70507)
Incoming Relation(s)
(+)-vincadifformine(1+) (CHEBI:142830) is conjugate acid of (+)-vincadifformine (CHEBI:142834)
(−)-vincadifformine (CHEBI:70507) is enantiomer of (+)-vincadifformine (CHEBI:142834)
IUPAC Name 
methyl 2,3-didehydroaspidospermidine-3-carboxylate
Synonyms  Source
methyl (5R,12S,19R)-2,3-didehydroaspidospermidine-3-carboxylateChEBI
aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methyl esterChEBI
2,3-didehydroaspidospermidine-3-carboxylic acid methyl esterChEBI