Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000858

Phytochemical name: 2-Tridecanone

Synonymous chemical names:
tridecan-2-one, 2-Tridecanone, 2-tridecanone, 2-tridecanone*

External chemical identifiers:
CID:CID_11622, ChEMBL:CHEMBL480097, ChEBI:CHEBI:77928, ZINC:ZINC000001653218, FDASRS:5Q35VHX26K, SureChEMBL:SCHEMBL119126, MolPort-003-927-112

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)C

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

InChIKey:
CYIFVRUOHKNECG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)C

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: 0.517

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Chemical structure download