input word = C00053703

Metabolite InformationStructural formula
Name Prehumulone
Formula C22H32O5
Mw 376.22497413
CAS RN 59122-94-0
C_ID C00053703
InChIKey XZNPJHIDAGGFJJ-UHFFFAOYSA-N
InChICode InChI=1S/C22H32O5/c1-13(2)7-9-16-19(24)18(17(23)10-8-14(3)4)21(26)22(27,20(16)25)12-11-15(5)6/h7,11,14,24,26-27H,8-10,12H2,1-6H3
SMILES O=C1C(O)(C/C=C(C)C)C(O)=C(C(CCC(C)C)=O)C(O)=C1C/C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
--Minor hops Ref.
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