input word = C00025005

Metabolite InformationStructural formula
Name Spirasine V
Formula C22H31NO3
Mw 357.23039386
CAS RN 106798-63-4
C_ID C00025005 ,
InChIKey ADWWSTLDHHDKTM-LDMKGOCLNA-N
InChICode InChI=1S/C22H31NO3/c1-19-4-3-5-22-15-9-12-8-13(17(22)23-6-7-26-18(19)23)21(15,11-20(12,2)25)10-14(24)16(19)22/h12-13,15-18,25H,3-11H2,1-2H3/t12-,13+,15+,16+,17+,18-,19+,20+,21+,22+/m0/s1
SMILES C1[C@@H]2[C@@H]3[C@@]45[C@@H]6C[C@H]1[C@](C[C@]26CC(=O)[C@@H]5[C@@](CCC4)([C@H]1N3CCO1)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSpiraea japonica Ref.
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