input word = C00030866

Metabolite InformationStructural formula
Name Nubenolide acetate
Formula C17H18O5
Mw 302.11542369
CAS RN 916987-26-3
C_ID C00030866 ,
InChIKey ALBRNVBHUFSUBA-WGLLTOFJNA-N
InChICode InChI=1S/C17H18O5/c1-7-5-11(19)13-8(2)6-12-15(9(3)17(20)22-12)16(14(7)13)21-10(4)18/h5,12,14,16H,6H2,1-4H3/t12-,14-,16+/m1/s1
SMILES C1(=C2[C@H]([C@@H](C3=C(C(=O)O[C@@H]3C1)C)OC(=O)C)C(=CC2=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia nubicola Ref.
zoom in