input word = C00051321

Metabolite InformationStructural formula
Name Lophanic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 173932-79-1
C_ID C00051321
InChIKey AUFACZGSSYMMEI-KFCOIAHNNA-N
InChICode InChI=1S/C20H32O3/c1-13(2)19(23)11-8-15-14(12-19)6-7-16-18(3,4)9-5-10-20(15,16)17(21)22/h13,16,23H,5-12H2,1-4H3,(H,21,22)/t16-,19+,20-/m0/s1
SMILES CC(C)[C@@]1(O)CCC2=C(CC[C@H]3C(C)(C)CCC[C@]23OC=O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon lophanthoides Ref.
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