CHEBI:17096 - strictosidine aglycone

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ChEBI Name strictosidine aglycone
ChEBI ID CHEBI:17096
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26793, CHEBI:9289, CHEBI:15123
Supplier Information
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Formula C21H24N2O4
Net Charge 0
Average Mass 368.42634
Monoisotopic Mass 368.17361
InChI InChI=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
InChIKey HXLWDALZXJIPSY-LPIRWUFSSA-N
SMILES [H][C@@]1(C[C@]2([H])C(=CO[C@@H](O)[C@]2([H])C=C)C(=O)OC)NCCc2c1[nH]c1ccccc21
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 aglycone KEGG COMPOUND
Manual Xref Database
C03309 KEGG COMPOUND
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Registry Number Type Source
85925-13-9 CAS Registry Number KEGG COMPOUND
Last Modified
09 March 2018