input word = C00042708

Metabolite InformationStructural formula
Name Lupulone A
Formula C26H36O4
Mw 412.26135964
CAS RN 842121-73-7
C_ID C00042708 ,
InChIKey WOAGFYGUGHOSMR-UHFFFAOYNA-N
InChICode InChI=1S/C26H36O4/c1-16(2)9-10-19-22(28)21(20(27)15-18(5)6)23(29)26(12-11-17(3)4)14-13-25(7,8)30-24(19)26/h9,11,13-14,18,28H,10,12,15H2,1-8H3/t26-/m1/s1
SMILES C1(=C(C(=O)[C@@]2(C(=C1CC=C(C)C)OC(C=C2)(C)C)CC=C(C)C)C(=O)CC(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus L. Ref.
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