input word = C00042577

Metabolite InformationStructural formula
Name Hecubine
Formula C20H26N2O
Mw 310.20451347
CAS RN 62874-52-6
C_ID C00042577 ,
InChIKey XUDAGNVXWJRKJD-TVAVBBBENA-N
InChICode InChI=1S/C20H26N2O/c1-3-20-10-8-17-15(14-6-4-5-7-16(14)21(17)2)9-11-22(13-20)12-18-19(20)23-18/h4-7,18-19H,3,8-13H2,1-2H3/t18-,19-,20+/m1/s1
SMILES CC[C@@]12CCc3c(c4ccccc4n3C)CC[N@@](C[C@H]3O[C@H]31)C2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia coronaria Ref.
PlantaeApocynaceaeTabernaemontana bovina Ref.
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