input word = C00042737

Metabolite InformationStructural formula
Name Methyl reserpate
Formula C23H30N2O5
Mw 414.21547208
CAS RN 2901-66-8
C_ID C00042737 ,
InChIKey MDJQWFFIUHUJSB-ACOFVXFINA-N
InChICode InChI=1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3/t12-,16-,18-,19-,20+,22+/m1/s1
SMILES COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](O)[C@@H]1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauwolfia serpentina Ref.
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