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 C1(=C(C(=O)C2=C(C1=O)C[C@]13[C@H](C(CCC1)(C)C)C[C@]2(C)O3)C(C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeDracocephalum komarovi Ref.
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