input word = C00027935

Metabolite InformationStructural formula
Name beta-Yohimbine
Formula C21H26N2O3
Mw 354.19434271
CAS RN 549-84-8
C_ID C00027935 ,
InChIKey BLGXFZZNTVWLAY-XVXAGGFJNA-N
InChICode InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17-,18+,19+/m0/s1
SMILES COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma ramiflorum Muell.-Arg. Ref.
PlantaeApocynaceaeHaplophyton crooksii L.Benson Ref.
PlantaeApocynaceaeRauwolfia verticillata Ref.
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