input word = C00051867

Metabolite InformationStructural formula
Name 6-O-Methyl-N-deacetylipecoside
Formula C27H37NO10
Mw 535.24174641
CAS RN
C_ID C00051867
InChIKey
InChICode InChI=1S/C27H37NO10/c1-4-14-17(10-18-16-11-19(30)21(35-2)9-13(16)7-8-28-18)15(26(34)36-3)5-6-20(14)37-27-25(33)24(32)23(31)22(12-29)38-27/h4-5,9,11,14,17-18,20,22-25,27-33H,1,6-8,10,12H2,2-3H3/t14-,17+,18-,20-,22-,23-,24+,25-,27-/m1/s1
SMILES c1(c(cc2c(c1)CCN[C@@H]2C[C@@H]1C(=CC[C@H]([C@@H]1C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)OC)O)OC
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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OrganismPsychotria klugii
ReferenceN.O.Calixto et al.,J.Braz.Chem.Soc.,27,(2016),1355-1378

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