CHEBI:17286 - deacetylisoipecoside

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ChEBI Name deacetylisoipecoside
ChEBI ID CHEBI:17286
Definition Isoipecoside in which the acetyl group attaced to the nitrogen is replaced by hydrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14102, CHEBI:23566, CHEBI:4338
Supplier Information
Download Molfile XML SDF
Formula C25H33NO11
Net Charge 0
Average Mass 523.52960
Monoisotopic Mass 523.20536
InChI InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1
InChIKey MTAVTRZTGFLKSC-ONGZBVEHSA-N
SMILES [H][C@@]1(C[C@]2([H])C(=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])C=C)C(=O)OC)NCCc2cc(O)c(O)cc12
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 deacetylisoipecoside (CHEBI:17286) is a β-D-glucoside (CHEBI:22798)
deacetylisoipecoside (CHEBI:17286) is a isoquinoline alkaloid (CHEBI:24921)
deacetylisoipecoside (CHEBI:17286) is a isoquinolines (CHEBI:24922)
deacetylisoipecoside (CHEBI:17286) is a methyl ester (CHEBI:25248)
deacetylisoipecoside (CHEBI:17286) is conjugate base of deacetylisoipecoside(1+) (CHEBI:58091)
Incoming deacetylisoipecoside(1+) (CHEBI:58091) is conjugate acid of deacetylisoipecoside (CHEBI:17286)
IUPAC Name
methyl (2S,3R,4S)-3-ethenyl-4-{[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(β-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate
Synonym Source
Deacetylisoipecoside KEGG COMPOUND
Manual Xref Database
C07304 KEGG COMPOUND
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Registry Number Type Source
5787005 Beilstein Registry Number Beilstein
Last Modified
11 March 2015