EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223277 - Tenellic acid D

ChEBI IDCHEBI:223277
ChEBI NameTenellic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESCOc1c([C@H](CC(C)C)OCC(C)C)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O
InChIInChI=1S/C25H32O7/c1-14(2)9-21(31-13-15(3)4)18-7-8-20(22(25(28)29)24(18)30-6)32-23-17(12-26)10-16(5)11-19(23)27/h7-8,10-12,14-15,21,27H,9,13H2,1-6H3,(H,28,29)/t21-/m0/s1
InChIKeyRSHGBXXCFTYVDQ-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Dendrospora tenella (ncbitaxon:1491030) - PubMed (10217713)
ChEBI Ontology
Outgoing Relation(s)
Tenellic acid D (CHEBI:223277) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-(2-ormyl-6-hydroxy-4-methylphenoxy)-2-methoxy-3-[3-methyl-1-(2-methylpropoxy)butyl]benzoic acid
Manual XrefsDatabases
8869945ChemSpider