input word = C00062314

Metabolite InformationStructural formula
Name trans-Isocohumulone
Formula C20H28O5
Mw 348.193674
CAS RN 58501-77-2
C_ID C00062314
InChIKey KKXFYHZSOIALRM-DZLYFNQKNA-N
InChICode InChI=1S/C20H28O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h7-8,13-14,24-25H,9-10H2,1-6H3/t14-,20-/m0/s1
SMILES CC(C)=CCC(=O)C1(O)C(O)=C(C(=O)C(C)C)C(=O)C1CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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