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6-O-Methyldeacetylisoipecoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM114463

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₆H₃₅NO₁₁

charge

mass

537.22101

reference

chebi:176954

InChIKey

BAMBZZTUDRDYEE-QIAPLWSDSA-N

InChI

InChI=1S/C26H35NO11/c1-4-13-15(8-17-14-9-18(29)19(34-2)7-12(14)5-6-27-17)16(24(33)35-3)11-36-25(13)38-26-23(32)22(31)21(30)20(10-28)37-26/h4,7,9,11,13,15,17,20-23,25-32H,1,5-6,8,10H2,2-3H3/t13-,15+,17+,20-,21-,22+,23-,25+,26+/m1/s1

SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1NCCc2cc(OC)c(O)cc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176954 chebi:176954	6-O-Methyldeacetylisoipecoside methyl (2S,3R,4S)-3-ethenyl-4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
kegg.compound:C21566 keggC:C21566	6-O-Methyldeacetylisoipecoside 6-O-Methyl-N-deacetylisoipecoside
metacyc.compound:CPD-14812 metacycM:CPD-14812 seed.compound:cpd35314 seedM:cpd35314	6-O-methyl-N-deacetylisoipecoside
keggC:M_C21566 seedM:M_cpd35314	secondary/obsolete/fantasy identifier