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 c1cc(c2c(c1)[C@@]13[C@@H](N2C)[C@H]2N4[C@@H](C1)[C@H]([C@@H](C2)[C@@H]([C@H]4O)CC)[C@H]3O)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauvolfia serpentina Ref.
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OrganismRauvolfia serpentina
ReferenceSheludko,J.Nat.Prod.,65,(2002),1006