EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198000 - Tenellone B

ChEBI IDCHEBI:198000
ChEBI NameTenellone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc2c1O[C@H](C(C)(C)O)CO2
InChIInChI=1S/C25H28O6/c1-14(2)6-7-16-8-9-19(27)18(12-26)22(16)23(28)17-10-15(3)11-20-24(17)31-21(13-30-20)25(4,5)29/h6,8-12,21,27,29H,7,13H2,1-5H3/t21-/m0/s1
InChIKeyDYNXQZCWMXLZCW-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Diaporthespecies (ncbitaxon:1756133) - PubMed (15844962)
ChEBI Ontology
Outgoing Relation(s)
Tenellone B (CHEBI:198000) is a benzophenones (CHEBI:22726)
IUPAC Name 
6-hydroxy-2-[3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-5-carbonyl]-3-(3-methylbut-2-enyl)benzaldehyde
Manual XrefsDatabases
24715608ChemSpider