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CHEBI:146275 - de-ester-(−)-voacangine

ChEBI IDCHEBI:146275
ChEBI Namede-ester-(−)-voacangine
Stars
ASCII Namede-ester-(-)-voacangine
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H26N2O3
Net Charge0
Average Mass354.450
Monoisotopic Mass354.19434
SMILES[H][C@@]12C[C@H](CC)[C@@]3([H])[C@@](C(=O)[O-])(C1)c1nc4ccc(OC)cc4c1CC[N@@+]3([H])C2
InChIInChI=1S/C21H26N2O3/c1-3-13-8-12-10-21(20(24)25)18-15(6-7-23(11-12)19(13)21)16-9-14(26-2)4-5-17(16)22-18/h4-5,9,12-13,19,22H,3,6-8,10-11H2,1-2H3,(H,24,25)/t12-,13+,19+,21-/m1/s1
InChIKeyVXCTXWOXKCYMNM-YDBSYXHISA-N
ChEBI Ontology
Outgoing Relation(s)
de-ester-(−)-voacangine (CHEBI:146275) is a ammonium ion derivative (CHEBI:35274)
de-ester-(−)-voacangine (CHEBI:146275) is a monocarboxylic acid anion (CHEBI:35757)
Synonym  Source
(6ξ)-12-methoxy-18-carbonyl-2α-ibogamin-6-iumSUBMITTER
UniProt Name  Source
de-ester-(−)-voacangineUniProt
Citations