input word = C00036407

Metabolite InformationStructural formula
Name 12-Methoxy-Na-methylvellosimine
(+)-12-Methoxy-Na-methylvellosimine
Formula C21H24N2O2
Mw 336.18377802
CAS RN 457613-91-1
C_ID C00036407 ,
InChIKey RBNBEKDCSALFTN-BWXIYJRMNA-N
InChICode InChI=1S/C21H24N2O2/c1-4-12-10-23-17-9-15-13-6-5-7-19(25-3)21(13)22(2)20(15)18(23)8-14(12)16(17)11-24/h4-7,11,14,16-18H,8-10H2,1-3H3/b12-4-/t14-,16-,17+,18?/m1/s1
SMILES C/C=C1/C[N@@]2[C@H]3CC1[C@@H](C=O)[C@@H]2Cc1c3n(C)c2c(OC)cccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauvolfia bahiensis Ref.
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OrganismRauvolfia bahiensis
ReferenceKato,Phytochem.,60,(2002),315