input word = C00047217

Metabolite InformationStructural formula
Name Divinatorin E
(-)-Divinatorin E
Formula C21H28O5
Mw 360.193674
CAS RN 866622-53-9
C_ID C00047217 ,
InChIKey YZNPCSMMMSRMAJ-KEFOUSCKNA-N
InChICode InChI=1S/C21H28O5/c1-20(9-6-14-8-11-26-13-14)15(12-22)7-10-21(2)16(19(24)25-3)4-5-17(23)18(20)21/h4,8,11-13,15,17-18,23H,5-7,9-10H2,1-3H3/t15-,17-,18+,20-,21-/m0/s1
SMILES COC(=O)C1=CC[C@H](O)[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C=O)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia divinorum Ref.
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