input word = C00056822

Metabolite InformationStructural formula
Name Rubanone
Formula C21H22O6
Mw 370.14163844
CAS RN 1034410-14-4
C_ID C00056822
InChIKey BHFARELXZFGRDH-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O6/c1-26-20-14-6-4-3-5-13(22)9-7-12-8-10-16(23)15(11-12)17(18(14)24)21(27-2)19(20)25/h8,10-11,23H,3-7,9H2,1-2H3
SMILES COC1=C2CCCCC(=O)CCc3ccc(O)c(c3)C(=C(OC)C1=O)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica rubra Ref.
zoom in