input word = C00063523

Metabolite InformationStructural formula
Name cis-Isoadhumulone
Formula C21H30O5
Mw 362.20932407
CAS RN 96614-01-6
C_ID C00063523
InChIKey QHRQNLXYMFCGPB-VGBMAPTKSA-N
InChICode InChI=1S/C21H30O5/c1-7-14(6)18(23)17-19(24)15(10-8-12(2)3)21(26,20(17)25)16(22)11-9-13(4)5/h8-9,14-15,25-26H,7,10-11H2,1-6H3/t14?,15-,21+/m1/s1
SMILES CCC(C)C(=O)C1=C(O)C(O)(C(=O)CC=C(C)C)C(CC=C(C)C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
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