EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213723 - Thelephantin C

Default Structure
ChEBI IDCHEBI:213723
ChEBI NameThelephantin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O9
Net Charge0
Average Mass558.583
Monoisotopic Mass558.18898
SMILESCC(C)[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c(O)c1-c1ccc(O)cc1
InChIInChI=1S/C32H30O9/c1-17(2)18(3)16-25(36)40-30-26(19-4-10-22(33)11-5-19)29(38)31(41-32(39)21-8-14-24(35)15-9-21)27(28(30)37)20-6-12-23(34)13-7-20/h4-15,17-18,33-35,37-38H,16H2,1-3H3/t18-/m0/s1
InChIKeyIXNCXNGAGCSAMG-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Thelephora aurantiotincta (ncbitaxon:654496) - DOI (10.1016/s0031-9422(02)00403-x)
ChEBI Ontology
Outgoing Relation(s)
Thelephantin C (CHEBI:213723) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[4-(3,4-dimethylpentanoyloxy)-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate
Manual XrefsDatabases
4479546ChemSpider