input word = C00027745

Metabolite InformationStructural formula
Name 3-epi-alpha-yohimbine
Formula C21H26N2O3
Mw 354.19434271
CAS RN 483-09-0
C_ID C00027745 ,
InChIKey BLGXFZZNTVWLAY-ABMCAAGLNA-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+/m1/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
PlantaeApocynaceaeRauwolfia sprucei Muell. Ref.
zoom in