4-Tritylphenyl 5-hexynoate (CHEBI:188802)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-Tritylphenyl 5-hexynoate

ChEBI ID	CHEBI:188802

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C31H26O2

Net Charge

Average Mass

430.547

Monoisotopic Mass

430.19328

InChI

InChI=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

InChIKey

LAJGZCKWKCWJOL-UHFFFAOYSA-N

SMILES

O(C1=CC=C(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C(=O)CCCC#C

Metabolite of Species	Details
Phyllostachys violascens (NCBI:txid1903417)	Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study

ChEBI Ontology
Outgoing	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