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 OC1=CC=C2C=C1C3=C(OC)C(C(OC)=C(CCCCC(CC2)=O)C3=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica rubra Ref.
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