Summary

IMPPAT Phytochemical identifier: IMPHY013833

Phytochemical name: Undecane-2,5-dione

Synonymous chemical names:
2,5-undecadione+

External chemical identifiers:
CID:81489, SureChEMBL:SCHEMBL2138876

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Chemical structure information

SMILES:
CCCCCCC(=O)CCC(=O)C

InChI:
InChI=1S/C11H20O2/c1-3-4-5-6-7-11(13)9-8-10(2)12/h3-9H2,1-2H3

InChIKey:
ZHMCDZHVHDFSHO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=O)CCC=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: 0.877

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