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

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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

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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

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Chemical structure download