input word = C00054608

Metabolite InformationStructural formula
Name 4-Deoxyadhumulone
Formula C21H30O4
Mw 346.21440945
CAS RN 4374-92-9
C_ID C00054608
InChIKey VXESUOYBWMDWCJ-UHFFFAOYSA-N
InChICode InChI=1S/C21H30O4/c1-7-14(6)18(22)17-20(24)15(10-8-12(2)3)19(23)16(21(17)25)11-9-13(4)5/h8-9,14,23-25H,7,10-11H2,1-6H3
SMILES OC1=C(C(C(CC)C)=O)C(O)=C(C/C=C(C)/C)C(O)=C1C/C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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