input word = C00050376

Metabolite InformationStructural formula
Name Leopersin I
(+)-Leopersin I
Formula C22H28O8
Mw 420.17841787
CAS RN 100215-73-4
C_ID C00050376 ,
InChIKey VCBMKVRJLRIJHA-QWPZNEGBNA-N
InChICode InChI=1S/C22H28O8/c1-12(23)29-20(4)16(25)14-15-18(2,17(26)28-14)6-5-7-19(15,3)22(20)9-8-21(30-22)10-13(24)27-11-21/h14-15H,5-11H2,1-4H3/t14-,15-,18-,19-,20-,21+,22-/m0/s1
SMILES [C@@]1(C(=O)[C@@H]2[C@@H]3[C@@]([C@@]41O[C@]1(CC4)CC(=O)OC1)(CCC[C@@]3(C(=O)O2)C)C)(C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus persicus Ref.
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