input word = C00031961

Metabolite InformationStructural formula
Name Leoheteronin A
Formula C20H28O3
Mw 316.20384476
CAS RN 198973-34-1
C_ID C00031961 ,
InChIKey PYQGOKBLFCVMKS-RSGSQYTANA-N
InChICode InChI=1S/C20H28O3/c1-13-15(7-6-14-10-18(22)23-12-14)20(4)9-5-8-19(2,3)17(20)11-16(13)21/h10,17H,5-9,11-12H2,1-4H3/t17-,20+/m0/s1
SMILES C1CC([C@H]2[C@](C1)(C(=C(C(=O)C2)C)CCC1=CC(=O)OC1)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus heterophyllus SW. Ref.
zoom in