input word = C00002701

Metabolite InformationStructural formula
Name Lupulone
beta-Bitter acid
Formula C26H38O4
Mw 414.2770097
CAS RN 468-28-0
C_ID C00002701 ,
InChIKey WPVSVIXDXMNGGN-UHFFFAOYNA-N
InChICode InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28,30H,10,13-15H2,1-8H3
SMILES C1(=C(C(=C(C(=O)C1(CC=C(C)C)CC=C(C)C)CC=C(C)C)O)C(=O)CC(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus japonicus Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
--hops Ref.
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