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CHEBI:174670 - Nigellic acid

ChEBI IDCHEBI:174670
ChEBI NameNigellic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCC(/C=C/C1(O)C(CO)=CC(=O)CC1(C)C)=C\C(=O)O
InChIInChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6+
InChIKeyZGHRCSAIMSBFLK-UMCKCUICSA-N
ChEBI Ontology
Outgoing Relation(s)
Nigellic acid (CHEBI:174670) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
IUPAC Name 
(2E,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Manual XrefsDatabases
HMDB0036094HMDB
35014093ChemSpider