input word = C00051873

Metabolite InformationStructural formula
Name N-Deacetylisoipecoside
Formula C25H33NO11
Mw 523.20536091
CAS RN
C_ID C00051873
InChIKey
InChICode InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1
SMILES c1(c(cc2c(c1)CCN[C@H]2C[C@@H]1C(=CO[C@H]([C@@H]1C=C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium salviifolium Ref.
PlantaeRubiaceaeCephaelis acuminata Ref.
PlantaeRubiaceaePsychotria burucana Ref.
PlantaeRubiaceaePsychotria ipecacuanha Ref.
PlantaeRubiaceaePsychotria klugii Ref.
--Carapichea affinis Ref.
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