input word = C00060495

Metabolite InformationStructural formula
Name Tricyclooxyisoadhumulone B
Formula C21H30O6
Mw 378.20423869
CAS RN 1821029-94-0
C_ID C00060495
InChIKey CCHSZWRWSVNYIM-VAWMUMEISA-N
InChICode InChI=1S/C21H30O6/c1-7-10(2)15(23)14-16(24)20-9-12(19(5,6)26)18(3,4)11(20)8-13(22)21(20,27)17(14)25/h10-12,25-27H,7-9H2,1-6H3/t10-,11-,12+,20+,21+/m0/s1
SMILES CCC(C)C(=O)C1=C(O)C2(O)C(=O)CC3C(C)(C)C(C(C)(C)O)CC32C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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