input word = C00022286

Metabolite InformationStructural formula
Name ent-9alpha,13R-Epoxy-18-hydroxy-14-labden-7-one
Formula C20H32O3
Mw 320.23514489
CAS RN 105072-10-4
C_ID C00022286 ,
InChIKey SVFACCMCEHBXFZ-BADAGFPCNA-N
InChICode InChI=1S/C20H32O3/c1-6-18(4)10-11-20(23-18)14(2)15(22)12-16-17(3,13-21)8-7-9-19(16,20)5/h6,14,16,21H,1,7-13H2,2-5H3/t14-,16-,17-,18-,19-,20+/m1/s1
SMILES C1C[C@]([C@@H]2[C@@](C1)([C@]1([C@@H](C(=O)C2)C)O[C@@](CC1)(C=C)C)C)(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAustrobrickellia patens Ref.
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