input word = C00027242

Metabolite InformationStructural formula
Name (4R)-4-Hydroxyipecoside
(-)-(4R)-4-Hydroxyipecoside
Formula C27H35NO13
Mw 581.21084021
CAS RN 408363-54-2
C_ID C00027242 ,
InChIKey IZNGUQUMRJUVTA-BUSRTABKNA-N
InChICode InChI=1S/C27H35NO13/c1-4-12-13(5-17-14-6-18(31)19(32)7-15(14)20(33)8-28(17)11(2)30)16(25(37)38-3)10-39-26(12)41-27-24(36)23(35)22(34)21(9-29)40-27/h4,6-7,10,12-13,17,20-24,26-27,29,31-36H,1,5,8-9H2,2-3H3/t12-,13-,17+,20-,21+,22+,23-,24+,26-,27-/m0/s1
SMILES c1(c(cc2c(c1)[C@H](N(C[C@@H]2O)C(=O)C)C[C@H]1[C@@H]([C@@H](OC=C1C(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C=C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCephaelis acuminata Ref.
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