input word = C00024996

Metabolite InformationStructural formula
Name Spiramine W
Formula C22H33NO4
Mw 375.24095855
CAS RN 304645-14-5
C_ID C00024996 ,
InChIKey URFSNQGBOARTFK-UHFFFAOYNA-N
InChICode InChI=1S/C22H33NO4/c1-19-5-3-6-22-13-10-12-4-7-21(13,11-20(12,2)25)16(14(24)15(19)22)27-18(22)23-8-9-26-17(19)23/h12-18,24-25H,3-11H2,1-2H3/t12-,13-,14-,15+,16+,17+,18+,19-,20-,21+,22+/m0/s1
SMILES [C@H]1(O)[C@@H]2[C@]3([C@@H]4N([C@H]5[C@]2(CCC3)[C@@H]2[C@]3([C@@H]1O5)C[C@]([C@H](C2)CC3)(C)O)CCO4)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSpiraea japonica var.acuta Ref.
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