input word = C00035518

Metabolite InformationStructural formula
Name Adhumulone
Formula C21H30O5
Mw 362.20932407
CAS RN 863413-61-0
C_ID C00035518 ,
InChIKey LDXMPKMQIKGJFN-GWCZJFQONA-N
InChICode InChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14,23-24,26H,7,9,11H2,1-6H3/t14-,21-/m1/s1
SMILES C1(=C([C@@](C(=O)C(=C1O)C(=O)[C@@H](CC)C)(CC=C(C)C)O)O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
zoom in