input word = C00042709

Metabolite InformationStructural formula
Name Lupulone B
Formula C25H34O4
Mw 398.24570957
CAS RN 842121-74-8
C_ID C00042709
InChIKey MJXCRNGPAMBYDU-UHFFFAOYSA-N
InChICode InChI=1S/C25H34O4/c1-15(2)9-10-18-21(27)19(20(26)17(5)6)22(28)25(12-11-16(3)4)14-13-24(7,8)29-23(18)25/h9,11,13-14,17,27H,10,12H2,1-8H3
SMILES CC(C)C(C1=C(O)C(C/C=C(C)C)=C2C(C1=O)(C/C=C(C)C)C=CC(C)(C)O2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus L. Ref.
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