input word = C00052798

Metabolite InformationStructural formula
Name adprehumulone
Formula C22H32O5
Mw 376.22497413
CAS RN 212394-62-2
C_ID C00052798
InChIKey JVHNYRZBJFWADS-ZZAPORBBSA-N
InChICode InChI=1S/C22H32O5/c1-7-15(6)12-17(23)18-19(24)16(9-8-13(2)3)20(25)22(27,21(18)26)11-10-14(4)5/h8,10,15,24-25,27H,7,9,11-12H2,1-6H3/t15?,22-/m1/s1
SMILES C/C(C)=C/CC(C(O)=C1C(CC(C)CC)=O)=C(O)[C@@](C/C=C(C)/C)(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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