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CHEBI:182530 - 6-O-Methyl-N-deacetylisoipecoside aglycon

ChEBI IDCHEBI:182530
ChEBI Name6-O-Methyl-N-deacetylisoipecoside aglycon
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25NO6
Net Charge0
Average Mass375.421
Monoisotopic Mass375.16819
SMILESC=C[C@H]1[C@H](O)OC=C(C(=O)OC)[C@H]1C[C@@H]1NCCc2cc(OC)c(O)cc21
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/t12-,14+,16+,20-/m1/s1
InChIKeyKOBLTMOWUOJKTH-ZWBYBESUSA-N
ChEBI Ontology
Outgoing Relation(s)
6-O-Methyl-N-deacetylisoipecoside aglycon (CHEBI:182530) is a iridoid monoterpenoid (CHEBI:50563)
6-O-Methyl-N-deacetylisoipecoside aglycon (CHEBI:182530) is conjugate base of 6-O-methyldeacetylisoipecoside aglycone(1+) (CHEBI:229556)
Incoming Relation(s)
6-O-methyldeacetylisoipecoside aglycone(1+) (CHEBI:229556) is conjugate acid of 6-O-Methyl-N-deacetylisoipecoside aglycon (CHEBI:182530)
IUPAC Name 
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
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C21583KEGG COMPOUND