input word = C00002709

Metabolite InformationStructural formula
Name Tricyclodehydroisohumulone
Formula C21H28O5
Mw 360.193674
CAS RN 56143-68-1
C_ID C00002709 ,
InChIKey FZQFCXBBPNGZEI-ZDIWIDOKNA-N
InChICode InChI=1S/C21H28O5/c1-10(2)7-13(22)16-17(24)20-9-12(11(3)4)19(5,6)14(20)8-15(23)21(20,26)18(16)25/h10,12,14,25-26H,3,7-9H2,1-2,4-6H3/t12-,14-,20+,21+/m1/s1
SMILES [C@]123[C@H](CC(=O)[C@@]1(C(=C(C3=O)C(=O)CC(C)C)O)O)C([C@H](C2)C(=C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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