input word = C00001868

Metabolite InformationStructural formula
Name Ipecoside
Formula C27H35NO12
Mw 565.21592559
CAS RN 15401-60-2
C_ID C00001868 ,
InChIKey QISXROCIXKXUPS-AQQVFWNVNA-N
InChICode InChI=1S/C27H35NO12/c1-4-14-16(8-18-15-9-20(32)19(31)7-13(15)5-6-28(18)12(2)30)17(25(36)37-3)11-38-26(14)40-27-24(35)23(34)22(33)21(10-29)39-27/h4,7,9,11,14,16,18,21-24,26-27,29,31-35H,1,5-6,8,10H2,2-3H3/t14-,16-,18+,21+,22+,23-,24+,26-,27-/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1c2cc(O)c(O)cc2CCN1C(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium salviifolium Ref.
PlantaeRubiaceaeCephaelis acuminata Ref.
PlantaeRubiaceaeCephaelis ipecacuanha Ref.
PlantaeRubiaceaePsychotria burucana Ref.
PlantaeRubiaceaePsychotria ipecacuanha Ref.
--Carapichea affinis Ref.
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