input word = C00040650

Metabolite InformationStructural formula
Name Withametelin N
(-)-Withametelin N
Formula C28H38O6
Mw 470.26683895
CAS RN 946131-64-2
C_ID C00040650 ,
InChIKey GBOAIYGIMWIRNM-MZWNJSAYNA-N
InChICode InChI=1S/C28H38O6/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23-28(34-23)11-15(29)9-22(30)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,29H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@H](O)CC(=O)[C@]5(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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