input word = C00059355

Metabolite InformationStructural formula
Name Adhumulinone
Formula C21H30O6
Mw 378.20423869
CAS RN 1185198-13-3
C_ID C00059355
InChIKey QBLOBNMFDITGGR-WCWOBGJUSA-N
InChICode InChI=1S/C21H30O6/c1-7-14(6)17(23)16-18(24)20(26,11-10-13(4)5)21(27,19(16)25)15(22)9-8-12(2)3/h8,10,14,25-27H,7,9,11H2,1-6H3/t14?,20-,21+/m0/s1
SMILES CCC(C)C(=O)C1=C(O)C(O)(C(=O)CC=C(C)C)C(O)(CC=C(C)C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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