input word = C00024579

Metabolite InformationStructural formula
Name Mersingine B
Formula C21H23N3O4
Mw 381.16885625
CAS RN 162665-99-8
C_ID C00024579 ,
InChIKey AENRZOOZAMQWNA-UHFFFAOYNA-N
InChICode InChI=1S/C21H23N3O4/c1-27-10-4-2-3-9-13(10)23-19-7-6-18-11(25)5-8-24-15-12(20(9,19)16(18)24)14(26)21(19,22)17(18)28-15/h2-4,11-12,15-17,23,25H,5-8,22H2,1H3/t11-,12-,15+,16-,17+,18+,19-,20-,21-/m0/s1
SMILES C1(=O)[C@@H]2[C@]34c5c(c(ccc5)OC)N[C@@]53[C@]1([C@H]1[C@@]3(CC5)[C@@H]4N(CC[C@@H]3O)[C@@H]2O1)N
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia teoi Ref.
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