input word = C00025001

Metabolite InformationStructural formula
Name Spirasine II
9-Hydroxyspiradine D
Formula C22H29NO3
Mw 355.2147438
CAS RN 106777-12-2
C_ID C00025001 ,
InChIKey IBFHMUUZNIJLRN-UHFFFAOYNA-N
InChICode InChI=1S/C22H29NO3/c1-12-9-20-11-15(24)16-19(2)4-3-5-21(16)17(23-6-7-26-18(19)23)14(20)8-13(12)10-22(20,21)25/h13-14,16-18,25H,1,3-11H2,2H3/t13-,14+,16+,17+,18-,19+,20-,21+,22-/m0/s1
SMILES [C@]123CC(=O)[C@H]4[C@@]56[C@@]1(C[C@@H](C(=C)C2)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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