input word = C00043917

Metabolite InformationStructural formula
Name Sibiricinone A
(+)-Sibiricinone A
Formula C20H30O6
Mw 366.20423869
CAS RN 680618-59-1
C_ID C00043917 ,
InChIKey ORLJFXGZZYWOIF-QOWPFODANA-N
InChICode InChI=1S/C20H30O6/c1-11-14(22)15(23)16-18(2,3)7-5-8-19(16,4)20(11,25)9-6-12-10-13(21)26-17(12)24/h10-11,14,16-17,22,24-25H,5-9H2,1-4H3/t11-,14-,16+,17+,19+,20-/m1/s1
SMILES C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus sibiricus Ref.
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OrganismLeonurus sibiricus
ReferenceBoalino,J.Nat.Prod.,67,(2004),714