input word = C00044727

Metabolite InformationStructural formula
Name Dracocephalone A
(+)-Dracocephalone A
Formula C20H26O5
Mw 346.17802394
CAS RN 485835-94-7
C_ID C00044727 ,
InChIKey BOZXUXQCVSWDBD-MECWPUFCNA-N
InChICode InChI=1S/C20H26O5/c1-10(2)13-16(22)14-11(21)8-12-19(3)6-5-7-20(12,25-9-19)15(14)17(23)18(13)24-4/h10,12,22-23H,5-9H2,1-4H3/t12-,19+,20+/m0/s1
SMILES COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1[C@]3(C)CCC[C@]21OC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeDracocephalum komarovi Ref.
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