input word = C00031972

Metabolite InformationStructural formula
Name Leopersin C
Formula C20H32O5
Mw 352.22497413
CAS RN 172821-84-0
C_ID C00031972 ,
InChIKey SDWMGUVLMJYDMR-UHFFFAOYNA-N
InChICode InChI=1S/C20H32O5/c1-12-14(22)15(23)16-17(2,3)6-5-7-18(16,4)20(12)9-8-19(25-20)10-13(21)24-11-19/h12-14,16,21-22H,5-11H2,1-4H3/t12-,13+,14-,16-,18+,19-,20+/m1/s1
SMILES C1CC([C@@H]2[C@](C1)([C@@]1([C@@H]([C@H](C2=O)O)C)CC[C@@]2(O1)C[C@H](OC2)O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus heterophyllus SW. Ref.
PlantaeLabiataeLeonurus persicus Ref.
PlantaeLabiataeOtostegia fruticosa Ref.
PlantaeLabiataeOtostegia integrifolia Ref.
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OrganismOtostegia integrifolia
ReferenceTesso,Phytochem.,65,(2004),2057