input word = C00050940

Metabolite InformationStructural formula
Name Isohumulone B
Formula C21H20O5
Mw 352.13107375
CAS RN 1534-03-8
C_ID C00050940
InChIKey QARXXMMQVDCYGZ-FFPNMHRKNA-N
InChICode InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3/t15-,21+/m1/s1
SMILES CC(C)=CCC(=O)[C@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@H]1CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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