input word = C00051865

Metabolite InformationStructural formula
Name 3-O-Demethyl-2-O-methylalangiside
Formula C25H31NO10
Mw 505.19479622
CAS RN
C_ID C00051865
InChIKey
InChICode InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-18(33-2)17(28)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16-,19-,20-,21+,22-,24+,25+/m1/s1
SMILES c12c(cc(c(c1)O)OC)[C@@H]1N(CC2)C(=O)C2=CO[C@H]([C@@H]([C@@H]2C1)C=C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePsychotria ipecacuanha Ref.
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