input word = C00059912

Metabolite InformationStructural formula
Name 4'-Hydroxyalloadhumulinone
Formula C21H30O7
Mw 394.19915331
CAS RN 1426585-07-0
C_ID C00059912
InChIKey IPFBIKDQHVRPGU-LURSDLJJNA-N
InChICode InChI=1/C21H30O7/c1-7-13(4)16(23)15-17(24)20(27,11-8-12(2)3)21(28,18(15)25)14(22)9-10-19(5,6)26/h8-10,13,25-28H,7,11H2,1-6H3/b10-9+/t13-,20-,21+/s2
SMILES CCC(C)C(=O)C1=C(O)C(O)(C(=O)C=CC(C)(C)O)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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