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CHEBI:17096 - strictosidine aglycone

ChEBI IDCHEBI:17096
ChEBI Namestrictosidine aglycone
Stars
Secondary ChEBI IDsCHEBI:9289, CHEBI:15123, CHEBI:26793
Last Modified7 July 2022
DownloadsMolfile
FormulaC21H24N2O4
Net Charge0
Average Mass368.433
Monoisotopic Mass368.17361
SMILES[H][C@]1(C=C)[C@H](O)OC=C(C(=O)OC)[C@@]1([H])C[C@]1([H])NCCc2c1nc1ccccc21
InChIInChI=1S/C21H24N2O4/c1-3-12-15(16(20(24)26-2)11-27-21(12)25)10-18-19-14(8-9-22-18)13-6-4-5-7-17(13)23-19/h3-7,11-12,15,18,21-23,25H,1,8-10H2,2H3/t12-,15+,18+,21-/m1/s1
InChIKeyHXLWDALZXJIPSY-LPIRWUFSSA-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)
strictosidine aglycone (CHEBI:17096) is a alkaloid ester (CHEBI:38481)
strictosidine aglycone (CHEBI:17096) is a indole alkaloid (CHEBI:38958)
strictosidine aglycone (CHEBI:17096) is a methyl ester (CHEBI:25248)
strictosidine aglycone (CHEBI:17096) is conjugate base of strictosidine aglycone(1+) (CHEBI:58012)
Incoming Relation(s)
strictosidine aglycone(1+) (CHEBI:58012) is conjugate acid of strictosidine aglycone (CHEBI:17096)
IUPAC Name 
methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-{[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl}-3,4-dihydro-2H-pyran-5-carboxylate
Synonym  Source
Strictosidine aglyconeKEGG COMPOUND
Manual XrefsDatabases
C03309KEGG COMPOUND
C03309KEGG COMPOUND
Registry NumbersSources
CAS:85925-13-9KEGG COMPOUND
Citations