input word = C00025008

Metabolite InformationStructural formula
Name Spirasine VIII
Formula C22H31NO4
Mw 373.22530849
CAS RN 106861-54-5
C_ID C00025008 ,
InChIKey RWPBJKJMLUNVRU-UHFFFAOYNA-N
InChICode InChI=1S/C22H31NO4/c1-18-4-3-5-21-15(18)14(24)10-20-11-19(2,25)12(9-22(20,21)26)8-13(20)16(21)23-6-7-27-17(18)23/h12-13,15-17,25-26H,3-11H2,1-2H3/t12-,13+,15+,16+,17-,18-,19-,20+,21-,22-/m0/s1
SMILES [C@]123CC(=O)[C@H]4[C@]56[C@@]1(C[C@@H]([C@@](C2)(C)O)C[C@@H]3[C@H]5N1[C@H]([C@]4(CCC6)C)OCC1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSpiraea japonica Ref.
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