EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211401 - Thelephantin J

Default Structure
ChEBI IDCHEBI:211401
ChEBI NameThelephantin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H22O8
Net Charge0
Average Mass534.520
Monoisotopic Mass534.13147
SMILESO=C(Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C32H22O8/c33-23-15-11-19(12-16-23)25-28(36)30(40-32(38)22-9-5-2-6-10-22)26(20-13-17-24(34)18-14-20)27(35)29(25)39-31(37)21-7-3-1-4-8-21/h1-18,33-36H
InChIKeyYXJGLCSWYSYDOX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hydnellum caeruleum (ncbitaxon:268276) - PubMed (15110701)
ChEBI Ontology
Outgoing Relation(s)
Thelephantin J (CHEBI:211401) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[4-benzoyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] benzoate
Manual XrefsDatabases
10187823ChemSpider