input word = C00044849

Metabolite InformationStructural formula
Name Komaroviquinone
(+)-Komaroviquinone
Formula C21H28O5
Mw 360.193674
CAS RN 485835-92-5
C_ID C00044849 ,
InChIKey LOKXHUZRSBFWGD-LMIKDBQWNA-N
InChICode InChI=1S/C22H30O4/c1-12(2)15-18(24)16-13(17(23)19(15)25-6)10-22-9-7-8-20(3,4)14(22)11-21(16,5)26-22/h12,14H,7-11H2,1-6H3/t14-,21-,22-/m0/s1
SMILES COC1=C(C(C)C)C(=O)C2=C(C[C@@]34CCCC(C)(C)[C@@H]3C[C@]2(C)O4)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeDracocephalum komarovi Ref.
zoom in



OrganismDracocephalum komarovi
ReferenceUchiyama,J.Nat.Prod.,66,(2003),128