EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206901 - Palitantin

ChEBI IDCHEBI:206901
ChEBI NamePalitantin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESCCC/C=C/C=C/[C@@H]1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO
InChIInChI=1S/C14H22O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,10-12,14-16,18H,2-3,8-9H2,1H3/b5-4+,7-6+/t10-,11+,12-,14-/m1/s1
InChIKeyMPOXQBRZHHNMER-XZQMCIKJSA-N
Species of MetaboliteComponentSourceComments
Penicillium puberulum (ncbitaxon:1343408) - DOI (10.1039/jr9590001662)
ChEBI Ontology
Outgoing Relation(s)
Palitantin (CHEBI:206901) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(2R,3R,5S,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
Manual XrefsDatabases
4942905ChemSpider