input word = C00059914

Metabolite InformationStructural formula
Name 4'-Hydroxyallohumulinone
Formula C21H30O7
Mw 394.19915331
CAS RN 1426826-94-9
C_ID C00059914
InChIKey RINDDCVEZOEOCB-BZXZPKDTNA-N
InChICode InChI=1/C21H30O7/c1-12(2)7-10-20(27)17(24)16(14(22)11-13(3)4)18(25)21(20,28)15(23)8-9-19(5,6)26/h7-9,13,25-28H,10-11H2,1-6H3/b9-8+/t20-,21+/s2
SMILES CC(C)=CCC1(O)C(=O)C(C(=O)CC(C)C)=C(O)C1(O)C(=O)C=CC(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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