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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OrganismHumulus japonicus
ReferenceJi, et al., Pharmacological Action and Application of Available Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1995).

Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Wang, et al., Handbook of Effective Components in Vegetal Medicines, People Health Press, Beijing, (1986).

Zhao, et al., Journal of Natural Products, 68, (2005), 43