IMPPAT Phytochemical information: 
7-Tridecanone

7-Tridecanone
Summary

IMPPAT Phytochemical identifier: IMPHY015447

Phytochemical name: 7-Tridecanone

Synonymous chemical names:
7-tridecanone

External chemical identifiers:
CID:10015, ZINC:ZINC000001713852, FDASRS:L0RDD0T8DG, SureChEMBL:SCHEMBL36634, MolPort-003-940-941
Chemical structure information

SMILES:
CCCCCCC(=O)CCCCCC

InChI:
InChI=1S/C13H26O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey:
ULIAPOFMBCCSPE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=O)CCCCCC

Functional groups:
CC(C)=O
Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass:
Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.584


Chemical structure download