input word = C00063543

Metabolite InformationStructural formula
Name Humulinone
Formula C21H30O6
Mw 378.20423869
CAS RN 981-03-3
C_ID C00063543
InChIKey KXBNQEYVZSCSNH-RTWAWAEBSA-N
InChICode InChI=1S/C21H30O6/c1-12(2)7-8-16(23)21(27)19(25)17(15(22)11-14(5)6)18(24)20(21,26)10-9-13(3)4/h7,9,14,24,26-27H,8,10-11H2,1-6H3/t20-,21+/m1/s1
SMILES CC(C)=CCC(=O)C1(O)C(=O)C(C(=O)CC(C)C)=C(O)C1(O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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