input word = C00025532

Metabolite InformationStructural formula
Name Sempervirone
Formula C26H39NO2
Mw 397.2980795
CAS RN 116537-79-2
C_ID C00025532 ,
InChIKey LQEYGBHACPWUTB-UBKPWBPPNA-N
InChICode InChI=1S/C26H39NO2/c1-6-17-18(28)13-24(4)20-8-7-19-22(2)15-29-16-27(5)21(22)9-10-25(19)14-26(20,25)12-11-23(17,24)3/h6,19-21H,7-16H2,1-5H3/b17-6+/t19-,20-,21+,22+,23+,24-,25-,26+/m1/s1
SMILES [C@@]12([C@@](CC[C@]34[C@@H]1CC[C@H]1[C@@]3(CC[C@H]3[C@]1(COCN3C)C)C4)(/C(=C/C)/C(=O)C2)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus sempervirens Ref.
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