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6-O-methyldeacetylisoipecoside aglycone

PropertiesImage
MNX_IDMNXM114464 Image of MNXM114464
referencechebi:229556
formulaC20H26NO6
global charge1
mol weight376.429
InChIKeyKOBLTMOWUOJKTH-ZWBYBESUSA-O
InChIInChI=1S/C20H25NO6/c1-4-12-14(15(19(23)26-3)10-27-20(12)24)8-16-13-9-17(22)18(25-2)7-11(13)5-6-21-16/h4,7,9-10,12,14,16,20-22,24H,1,5-6,8H2,2-3H3/p+1/t12-,14+,16+,20-/m1/s1
SMILESC=C[C@H]1[C@H](O)OC=C(C(=O)OC)[C@H]1C[C@@H]1[NH2+]CCC2=C1C=C(O)C(OC)=C2
MNX internals
InChI (mnx)InChI=1/C20H25NO6/c1-4-12-14(15(19(23)26-3)10-27-20(12)24)8-16-13-9-17(22)18(25-2)7-11(13)5-6-21-16/h4,7,9-10,12,14,16,20-22,24H,1,5-6,8H2,2-3H3/t12-,14+,16+,20-/m1/s1 Image of MNXM114464
SMILES (mnx)[CH2:1]=[CH:4][C@@H:12]1[C@H:14]([CH2:8][C@H:16]2[C:13]3=[CH:9][C:17]([OH:22])=[C:18]([O:25][CH3:2])[CH:7]=[C:11]3[CH2:5][CH2:6][NH:21]2)[C:15]([C:19](=[O:23])[O:26][CH3:3])=[CH:10][O:27][C@H:20]1[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:229556
chebi:229556
KOBLTMOWUOJKTH-ZWBYBESUSA-O 		6-O-methyldeacetylisoipecoside aglycone
6-O-methyldeacetylisoipecoside aglycone(1+)

kegg.compound:C21583
keggC:C21583
KOBLTMOWUOJKTH-ZWBYBESUSA-N 		6-O-Methyl-N-deacetylisoipecoside aglycon

CHEBI:182530
chebi:182530
KOBLTMOWUOJKTH-ZWBYBESUSA-N 		6-O-Methyl-N-deacetylisoipecoside aglycon
methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxylate

metacyc.compound:CPD-14813
metacycM:CPD-14813
seed.compound:cpd33288
seedM:cpd33288
KOBLTMOWUOJKTH-ZWBYBESUSA-O 		6-O-methyl-N-deacetylisoipecoside aglycon

keggC:M_C21583
seedM:M_cpd33288 		secondary/obsolete/fantasy identifier