input word = C00045154

Metabolite InformationStructural formula
Name 12-Hydroxyajmaline
Formula C20H26N2O3
Mw 342.19434271
CAS RN 152014-38-5
C_ID C00045154 ,
InChIKey RAGDTPVHROXSDN-QLPYGLRSNA-N
InChICode InChI=1S/C20H26N2O3/c1-3-9-10-7-12-17-20(11-5-4-6-14(23)16(11)21(17)2)8-13(15(10)18(20)24)22(12)19(9)25/h4-6,9-10,12-13,15,17-19,23-25H,3,7-8H2,1-2H3/t9-,10-,12-,13-,15-,17-,18+,19+,20+/m0/s1
SMILES CC[C@H]1C2C[C@H]3[C@@H]4N(C)c5c(O)cccc5[C@]45C[C@@H](C2[C@H]5O)N3[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauvolfia serpentina Ref.
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