input word = C00051868

Metabolite InformationStructural formula
Name 6-O-Methyl-N-deacetylisoipecoside
Formula C26N36NO11+
Mw 1006.05779912
CAS RN
C_ID C00051868
InChIKey
InChICode 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/p+1/t13-,15+,17+,20-,21-,22+,23-,25+,26+/m1/s1
SMILES C1(=CO[C@H]([C@@H]([C@@H]1C[C@@H]1[NH2+]CCc2c1cc(c(c2)OC)O)C=C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePsychotria ipecacuanha Ref.
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