input word = C00059630

Metabolite InformationStructural formula
Name 19-O-Acetylhorhammericine
Formula C26H32N2O5
Mw 452.23112215
CAS RN 1312951-42-0
C_ID C00059630
InChIKey OWKYNNRSCAFVFD-HPUPCBPGSA-N
InChICode InChI=1S/C26H32N2O5/c1-14(31-15(2)29)26-12-16(22(30)33-24(3,4)5)20-25(17-8-6-7-9-18(17)27-20)10-11-28(23(25)26)13-19-21(26)32-19/h6-9,14,19,21,23,27H,10-13H2,1-5H3/t14?,19-,21-,23+,25-,26-/m0/s1
SMILES CC(=O)OC(C)C12CC(C(=O)OC(C)(C)C)=C3Nc4ccccc4C34CCN(CC3OC31)C42
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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