input word = C00042688

Metabolite InformationStructural formula
Name Leopersin M
Formula C22H32O7
Mw 408.21480338
CAS RN 214849-80-6
C_ID C00042688 ,
InChIKey LSYHAUOKGXESQV-RETVNFRRNA-N
InChICode InChI=1S/C22H32O7/c1-12-16(25)17(26)18-19(3,4)14(28-13(2)23)6-7-20(18,5)22(12)9-8-21(29-22)10-15(24)27-11-21/h12,14,17-18,26H,6-11H2,1-5H3/t12-,14+,17-,18+,20+,21-,22-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@]1([C@@H](C(=O)[C@H]2O)C)CC[C@]2(O1)COC(=O)C2)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus persicus Ref.
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OrganismLeonurus persicus
ReferenceTasdemir,Phytochem.,49,(1998),137