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CHEBI:197014 - HU-331

ChEBI IDCHEBI:197014
ChEBI NameHU-331
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILES[H][C@@]1(C2=C(O)C(=O)C(CCCCC)=CC2=O)C=C(C)CC[C@H]1C(=C)C
InChIInChI=1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
InChIKeyWDXXEUARVHTWQF-DLBZAZTESA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
HU-331 (CHEBI:197014) is a prenylquinone (CHEBI:26255)
IUPAC Name 
3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
9568213ChemSpider