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CHEBI:9698 - Tricyclodehydroisohumulone

ChEBI IDCHEBI:9698
ChEBI NameTricyclodehydroisohumulone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILES[H][C@]12CC(=O)[C@]3(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@@]31C[C@H](C(=C)C)C2(C)C
InChIInChI=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
InChIKeyFZQFCXBBPNGZEI-QZHPCCELSA-N
ChEBI Ontology
Outgoing Relation(s)
Tricyclodehydroisohumulone (CHEBI:9698) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
TricyclodehydroisohumuloneKEGG COMPOUND
Manual XrefsDatabases
C10723KEGG COMPOUND
C00002709KNApSAcK
Registry NumbersSources
Beilstein:2422131Beilstein
CAS:56143-68-1KEGG COMPOUND