input word = C00025012

Metabolite InformationStructural formula
Name Spirasine XIII
Formula C20H25NO3
Mw 327.18344367
CAS RN 115610-47-4
C_ID C00025012 ,
InChIKey QGHUQYREUKNVFY-HUMKGLAPNA-N
InChICode InChI=1S/C20H25NO3/c1-9-6-18-7-20(24)16-17(2)4-3-5-19(16)14(18)13(23)10(9)12(22)11(18)15(19)21(20)8-17/h10-12,14-16,22,24H,1,3-8H2,2H3/t10-,11+,12+,14+,15+,16+,17-,18-,19-,20+/m0/s1
SMILES C=C1CC23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@]57C([C@H]2C(O)[C@H]1C(=O)[C@H]37)N4C6
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSpiraea japonica Ref.
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