input word = C00024994

Metabolite InformationStructural formula
Name Spiramine U
Formula C24H35NO5
Mw 417.25152324
CAS RN 205871-37-0
C_ID C00024994 ,
InChIKey ZVGHBOHWOUTHNI-UHFFFAOYNA-N
InChICode InChI=1S/C24H35NO5/c1-13(26)29-16-17-21(2)6-4-7-24(17)15-11-14-5-8-23(15,12-22(14,3)27)18(16)30-20(24)25-9-10-28-19(21)25/h14-20,27H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-,22-,23+,24-/m0/s1
SMILES [C@@H]1(OC(=O)C)[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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