input word = C00025772

Metabolite InformationStructural formula
Name beta-Yohimbine N-oxide
Yohimbine beta-N-oxide
Yohimbine N-oxide
Formula C21H26N2O4
Mw 370.18925733
CAS RN 70617-29-7
C_ID C00025772 ,
InChIKey JZCONOKOJCAMJY-QOUQLRPCNA-N
InChICode InChI=1S/C21H26N2O4/c1-27-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17,26)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17-,18-,19+,23-/m0/s1
SMILES [C@@H]12C[C@@H]3[C@H](CN1(=O)CCc1c2[nH]c2c1cccc2)CC[C@@H]([C@@H]3C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma oblongum Ref.
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