EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202248 - Gombapyrone A

ChEBI IDCHEBI:202248
ChEBI NameGombapyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O4
Net Charge0
Average Mass406.522
Monoisotopic Mass406.21441
SMILESC=C[C@H](O)c1cc(C)ccc1/C=C\C=C/C(C)=C/Cc1oc(=O)c(C)c(OC)c1C
InChIInChI=1S/C26H30O4/c1-7-23(27)22-16-18(3)12-14-21(22)11-9-8-10-17(2)13-15-24-19(4)25(29-6)20(5)26(28)30-24/h7-14,16,23,27H,1,15H2,2-6H3/b10-8-,11-9-,17-13+/t23-/m0/s1
InChIKeyIARZNGNUCPKITA-HPKUWQCESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19644516)
ChEBI Ontology
Outgoing Relation(s)
Gombapyrone A (CHEBI:202248) is a styrenes (CHEBI:26799)
IUPAC Name 
6-[(2E,4Z,6Z)-7-[2-(1-hydroxyprop-2-enyl)-4-methylphenyl]-3-methylhepta-2,4,6-trienyl]-4-methoxy-3,5-dimethylpyran-2-one
Manual XrefsDatabases
28286671ChemSpider