input word = C00029037

Metabolite InformationStructural formula
Name Spegatrine
Formula C20H25N2O2
Mw 325.19160306
CAS RN 47326-53-4
C_ID C00029037 ,
InChIKey USQVNXJTLCNRHL-WFAPVJJVNA-N
InChICode InChI=1S/C20H25N2O2/c1-3-11-9-22(2)18-8-15-14-6-12(24)4-5-17(14)21-20(15)19(22)7-13(11)16(18)10-23/h3-6,13,16,18-19,21,23-24H,7-10H2,1-2H3/b11-3-/t13-,16+,18-,19-/m0/s1
SMILES c1(ccc2c(c1)c1c([nH]2)[C@H]2[N@@]3([C@@H](C1)[C@@H]([C@@H](C2)/C(=CC)/C3)CO)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma spegazzini Ref.
PlantaeApocynaceaeRauwolfia sprucei Muell. Ref.
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