input word = C00025744

Metabolite InformationStructural formula
Name 3,4-Dehydro-beta-yohimbine
Formula C21H25N2O3
Mw 353.18651768
CAS RN 88607-65-2
C_ID C00025744 ,
InChIKey ABXHGHKISIEEEJ-GGEBDENYNA-O
InChICode InChI=1S/C21H24N2O3/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/h2-5,12,15,18-19,24H,6-11H2,1H3/p+1/t12-,15+,18+,19+/m0/s1
SMILES COC(=O)[C@@H]1[C@H]2CC3=[N+](CCc4c3[nH]c3ccccc43)C[C@@H]2CC[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma oblongum Ref.
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