input word = C00022302

Metabolite InformationStructural formula
Name Lagochilin
Formula C20H36O5
Mw 356.25627426
CAS RN 23554-81-6
C_ID C00022302 ,
InChIKey XYPPDQHBNJURHU-CUBNVAODNA-N
InChICode InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1
SMILES C[C@@H]1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@](CO)(CCO)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLagochilus inebrians Ref.
PlantaeLabiataeLagochilus setulosus Ref.
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