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CHEBI:174986 - Prehumulone

ChEBI IDCHEBI:174986
ChEBI NamePrehumulone
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SubmitterMetaboLights
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FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC(C)=CCC1C(=O)C(C(=O)CCC(C)C)=C(O)C(O)(CC=C(C)C)C1=O
InChIInChI=1S/C22H32O5/c1-13(2)7-9-16-19(24)18(17(23)10-8-14(3)4)21(26)22(27,20(16)25)12-11-15(5)6/h7,11,14,16,26-27H,8-10,12H2,1-6H3
InChIKeyRWECBKPOUYVUPL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Prehumulone (CHEBI:174986) is a benzoquinones (CHEBI:22729)
Prehumulone (CHEBI:174986) is a quinone (CHEBI:36141)
IUPAC Name 
5,6-dihydroxy-2,6-bis(3-methylbut-2-enyl)-4-(4-methylpentanoyl)cyclohex-4-ene-1,3-dione
Manual XrefsDatabases
35013146ChemSpider
HMDB0030147HMDB