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CHEBI:17699 - 16-hydroxytabersonine

ChEBI IDCHEBI:17699
ChEBI Name16-hydroxytabersonine
Stars
Secondary ChEBI IDsCHEBI:767, CHEBI:11330
Last Modified21 June 2017
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@]12N3CC=C[C@@]1(CC)CC(C(=O)OC)=C1Nc4cc(O)ccc4[C@@]12CC3
InChIInChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/t19-,20-,21-/m0/s1
InChIKeyFXUFRJQCBVSCRZ-ACRUOGEOSA-N
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)
16-hydroxytabersonine (CHEBI:17699) has functional parent tabersonine (CHEBI:16776)
16-hydroxytabersonine (CHEBI:17699) is a methyl ester (CHEBI:25248)
16-hydroxytabersonine (CHEBI:17699) is a monoterpenoid indole alkaloid (CHEBI:65323)
16-hydroxytabersonine (CHEBI:17699) is a organic heteropentacyclic compound (CHEBI:38164)
16-hydroxytabersonine (CHEBI:17699) is conjugate base of 16-hydroxytabersoninium (CHEBI:58239)
Incoming Relation(s)
(3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine (CHEBI:137485) has functional parent 16-hydroxytabersonine (CHEBI:17699)
16-hydroxytabersoninium (CHEBI:58239) is conjugate acid of 16-hydroxytabersonine (CHEBI:17699)
IUPAC Name 
methyl 16-hydroxy-2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidine-3-carboxylate
Synonym  Source
16-HydroxytabersonineKEGG COMPOUND
Manual XrefsDatabases
C11643KEGG COMPOUND
C00024480KNApSAcK