input word = C00042710

Metabolite InformationStructural formula
Name Lupulone C
Formula C26H38O5
Mw 430.27192432
CAS RN 613683-50-4
C_ID C00042710 ,
InChIKey HWYZDQMASKCQDN-UHFFFAOYNA-N
InChICode InChI=1S/C26H38O5/c1-15(2)9-11-26(12-10-16(3)4)23(28)18-14-20(25(7,8)30)31-22(18)21(24(26)29)19(27)13-17(5)6/h9-10,17,20,29-30H,11-14H2,1-8H3/t20-/m0/s1
SMILES C1(C(=C(C2=C(C1=O)C[C@H](O2)C(C)(O)C)C(=O)CC(C)C)O)(CC=C(C)C)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus L. Ref.
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