input word = C00053704

Metabolite InformationStructural formula
Name Prelupulone
Formula C27H40O4
Mw 428.29265977
CAS RN 65761-25-3
C_ID C00053704
InChIKey MTFYJZKXBWRLJA-UHFFFAOYSA-N
InChICode InChI=1S/C27H40O4/c1-17(2)9-11-21-24(29)23(22(28)12-10-18(3)4)26(31)27(25(21)30,15-13-19(5)6)16-14-20(7)8/h9,13-14,18,29-30H,10-12,15-16H2,1-8H3
SMILES OC(C1(C/C=C(C)C)C/C=C(C)C)=C(C/C=C(C)C)C(O)=C(C(CCC(C)C)=O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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