input word = C00024997

Metabolite InformationStructural formula
Name Spiramine X
Formula C26H35NO6
Mw 457.24643786
CAS RN 289053-65-2
C_ID C00024997 ,
InChIKey XOUUATNSZMQFKV-YACJRQLMNA-N
InChICode InChI=1S/C26H35NO6/c1-14-13-25-9-6-17(14)12-18(25)26-8-5-7-24(4)20(26)19(32-16(3)29)21(25)33-23(26)27(22(24)30)10-11-31-15(2)28/h17-21,23H,1,5-13H2,2-4H3/t17-,18+,19-,20+,21+,23+,24+,25+,26+/m0/s1
SMILES C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCOC(C)=O)C1O[C@@H]3[C@@H](OC(C)=O)[C@@H]24
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSpiraea japonica var.acuta Ref.
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