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CHEBI:172587 - Sorgoleone 358

ChEBI IDCHEBI:172587
ChEBI NameSorgoleone 358
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESC=CC/C=C/C/C=C/CCCCCCCC1=C(O)C(=O)C=C(OC)C1=O
InChIInChI=1S/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/b6-5+,9-8+
InChIKeyFGWRUVXUQWGLOX-HHWLVVFRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Sorgoleone 358 (CHEBI:172587) is a p-quinones (CHEBI:25830)
Sorgoleone 358 (CHEBI:172587) is a benzoquinones (CHEBI:22729)
IUPAC Name 
2-hydroxy-5-methoxy-3-[(8E,11E)-pentadeca-8,11,14-trienyl]cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
HMDB0033443HMDB
30776999ChemSpider