CHEBI:136640 - (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersoninium

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ChEBI Name (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersoninium ChEBI ID CHEBI:136640 ChEBI ASCII Name (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersoninium Definition An indole alkaloid cation that is the conjugate acid of (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine, obtained by protonation of the tertiary amino group. Major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H27N2O4 Net Charge +1 Average Mass 383.462 Monoisotopic Mass 383.19653 InChI InChI=1S/C22H26N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,18,26H,4,9-11,13H2,1-3H3/p+1/t18-,20-,21-,22+/m0/s1 InChIKey ADHQBWGHPFFYKI-JKLQHZFJSA-O SMILES [C@@]123C(=NC4=C1C=CC(=C4)OC)[C@](C[C@]5([C@@]2([NH+](CC=C5)CC3)[H])CC)(C(=O)OC)O ChEBI Ontology Outgoing (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersoninium (CHEBI:136640) is a indole alkaloid cation (CHEBI:60521) (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersoninium (CHEBI:136640) is conjugate acid of (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:137485) Incoming (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:137485) is conjugate base of (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersoninium (CHEBI:136640) IUPAC Name (3β,5α,12β,19α)-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1,2,6,7-tetradehydroaspidospermidin-9-ium Synonym Source (3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine UniProt Manual Xref Database CPD-19892 MetaCyc View more database links Citation Type Source 25918424 PubMed citation SUBMITTER Last Modified 21 June 2017