EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204370 - Dictyopanine A

ChEBI IDCHEBI:204370
ChEBI NameDictyopanine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O5
Net Charge0
Average Mass414.542
Monoisotopic Mass414.24062
SMILESC=C(C=O)C[C@H]1C(=O)C=C2[C@@H](OC(=O)/C=C/C(C)=C/CCCC)CC[C@@H](CO)[C@@]21C
InChIInChI=1S/C25H34O5/c1-5-6-7-8-17(2)9-12-24(29)30-23-11-10-19(16-27)25(4)20(13-18(3)15-26)22(28)14-21(23)25/h8-9,12,14-15,19-20,23,27H,3,5-7,10-11,13,16H2,1-2,4H3/b12-9+,17-8+/t19-,20-,23-,25+/m0/s1
InChIKeyKZXIDLYHAWGLBM-VCZIDFHPSA-N
Species of MetaboliteComponentSourceComments
Dictyopanus (ncbitaxon:135781) - PubMed (11079807)
ChEBI Ontology
Outgoing Relation(s)
Dictyopanine A (CHEBI:204370) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1R,4S,7R,7aR)-1-(2-ormylprop-2-enyl)-7-(hydroxymethyl)-7a-methyl-2-oxo-4,5,6,7-tetrahydro-1H-inden-4-yl] (2E,4E)-4-methylnona-2,4-dienoate
Manual XrefsDatabases
8268773ChemSpider