input word = C00051240

Metabolite InformationStructural formula
Name Leopersin E
Formula C22H28O7
Mw 404.18350325
CAS RN 172821-85-1
C_ID C00051240
InChIKey PHOWZNFLUQUNMX-AGXPQZPWNA-N
InChICode InChI=1S/C22H28O7/c1-13(23)29-21(4)17(24)15-16-19(2,18(25)28-15)8-5-9-20(16,3)22(21,26)10-6-14-7-11-27-12-14/h7,11-12,15-16,26H,5-6,8-10H2,1-4H3/t15-,16-,19-,20-,21-,22-/m0/s1
SMILES CC(=O)O[C@@]1(C)C(=O)[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus persicus Ref.
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