EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209399 - Moniliferanone B

ChEBI IDCHEBI:209399
ChEBI NameMoniliferanone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O4
Net Charge0
Average Mass412.570
Monoisotopic Mass412.26136
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C26H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-24(29)20-22(27)21-25(26)30/h6-7,9-10,12-13,15-16,20-21,27,29-30H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyYTHCLWOOCGCXRD-DOFZRALJSA-N
Species of MetaboliteComponentSourceComments
Cystophora monilifera (ncbitaxon:698722) - PubMed (26093325)
ChEBI Ontology
Outgoing Relation(s)
Moniliferanone B (CHEBI:209399) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5Z,8Z,11Z,14Z)-1-(2,4,6-trihydroxyphenyl)icosa-5,8,11,14-tetraen-1-one
Manual XrefsDatabases
78435868ChemSpider