input word = C00002697

Metabolite InformationStructural formula
Name Humulone
Formula C21H30O5
Mw 362.20932407
CAS RN 23510-81-8
C_ID C00002697 ,
InChIKey VMSLCPKYRPDHLN-RNZRUAGMNA-N
InChICode InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1
SMILES C1(=C(C(=C(C(=O)[C@]1(CC=C(C)C)O)C(=O)CC(C)C)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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