input word = C00048251

Metabolite InformationStructural formula
Name 13S-Preperegrinine
(+)-13S-Preperegrinine
Formula C20H26O5
Mw 346.17802394
CAS RN 1158806-49-5
C_ID C00048251 ,
InChIKey APJLGTWXFWPNFV-GIHRBYDZNA-N
InChICode InChI=1S/C20H26O5/c1-12-10-13-15-17(2,5-4-14(21)18(15,3)16(22)24-13)20(12)7-6-19(25-20)8-9-23-11-19/h8-9,12-13,15H,4-7,10-11H2,1-3H3/t12-,13-,15-,17+,18+,19+,20-/m1/s1
SMILES C1(=O)CC[C@]2([C@@H]3[C@]1(C(=O)O[C@@H]3C[C@H]([C@@]12CC[C@]2(O1)C=COC2)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium thessalum Ref.
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