input word = C00025712

Metabolite InformationStructural formula
Name 11-Methoxy-17-epi-alpha-yohimbine
Formula C22H28N2O4
Mw 384.2049074
CAS RN 84710-89-4
C_ID C00025712 ,
InChIKey DBCVUIBEXPYXAJ-ILRPHIJKNA-N
InChICode InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,16-,18+,19-,20+/m1/s1
SMILES [C@@H]12C[C@@H]3[C@@H](CN1CCc1c2[nH]c2c1ccc(c2)OC)CC[C@H]([C@H]3C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
--Neissosperma glomerata Ref.
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OrganismNeissosperma glomerata
ReferenceSequin,J.Nat.Prod.,45,(1982),738