input word = C00042711

Metabolite InformationStructural formula
Name Lupulone D
Formula C26H38O5
Mw 430.27192432
CAS RN 613683-51-5
C_ID C00042711 ,
InChIKey UFNSPVPZCKZBHN-UHFFFAOYNA-N
InChICode InChI=1S/C26H38O5/c1-15(2)9-10-18-22(28)21(19(27)13-17(5)6)23(29)26(12-11-16(3)4)14-20(25(7,8)30)31-24(18)26/h9,11,17,20,28,30H,10,12-14H2,1-8H3/t20-,26+/m0/s1
SMILES C1(=C(C(=C2[C@@](C1=O)(C[C@H](O2)C(C)(O)C)CC=C(C)C)CC=C(C)C)O)C(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus L. Ref.
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