EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188802 - 4-Tritylphenyl 5-hexynoate

ChEBI IDCHEBI:188802
ChEBI Name4-Tritylphenyl 5-hexynoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H26O2
Net Charge0
Average Mass430.547
Monoisotopic Mass430.19328
SMILESC#CCCCC(=O)Oc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26O2/c1-2-3-7-20-30(32)33-29-23-21-28(22-24-29)31(25-14-8-4-9-15-25,26-16-10-5-11-17-26)27-18-12-6-13-19-27/h1,4-6,8-19,21-24H,3,7,20H2
InChIKeyLAJGZCKWKCWJOL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
4-Tritylphenyl 5-hexynoate (CHEBI:188802) is a benzoate ester (CHEBI:36054)
4-Tritylphenyl 5-hexynoate (CHEBI:188802) is a phenols (CHEBI:33853)
IUPAC Name 
(4-tritylphenyl) hex-5-ynoate
Manual XrefsDatabases
30908707ChemSpider