1-Phenyl-1,3-docosanedione (CHEBI:175329)

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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	1-Phenyl-1,3-docosanedione

ChEBI ID	CHEBI:175329

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C28H46O2

Net Charge

Average Mass

414.674

Monoisotopic Mass

414.34978

InChI

InChI=1S/C28H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(29)25-28(30)26-22-19-18-20-23-26/h18-20,22-23H,2-17,21,24-25H2,1H3

InChIKey

XXJYXMGEJZQJKL-UHFFFAOYSA-N

SMILES

O=C(CCCCCCCCCCCCCCCCCCC)CC(=O)C1=CC=CC=C1

ChEBI Ontology
Outgoing	1-Phenyl-1,3-docosanedione (CHEBI:175329) is a aromatic ketone (CHEBI:76224)

IUPAC Name

1-phenyldocosane-1,3-dione