input word = C00051279

Metabolite InformationStructural formula
Name Limbatolide A
Formula C21H28O5
Mw 360.193674
CAS RN 857677-26-0
C_ID C00051279
InChIKey CLPKJMFRRPJXHG-TXTRWEIFNA-N
InChICode InChI=1S/C21H28O5/c1-12-10-16-21(3)14(19(23)25-16)6-5-7-15(21)20(12,2)9-8-13-11-17(24-4)26-18(13)22/h6,11-12,15-17H,5,7-10H2,1-4H3/t12-,15-,16+,17?,20+,21-/m1/s1
SMILES COC1C=C(CC[C@@]2(C)[C@H](C)C[C@@H]3OC(=O)C4=CCC[C@H]2[C@@]43C)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--otostegia limbata Ref.
zoom in