input word = C00031968

Metabolite InformationStructural formula
Name Leoheteronone C
(+)-Leoheteronone C
Formula C23H36O6
Mw 408.25118888
CAS RN 875770-80-2
C_ID C00031968 ,
InChIKey GDSNRTJTRDXNIY-DISCLGRCNA-N
InChICode InChI=1S/C23H36O6/c1-15(24)28-21(5)17(25)12-16-19(2,3)8-7-9-20(16,4)23(21)11-10-22(29-23)13-18(26-6)27-14-22/h16,18H,7-14H2,1-6H3/t16-,18-,20-,21-,22-,23-/m0/s1
SMILES CO[C@@H]1C[C@@]2(CC[C@@]3(O2)[C@@](C)(OC(C)=O)C(=O)C[C@H]2C(C)(C)CCC[C@@]23C)CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus heterophyllus SW. Ref.
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