Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013420

Phytochemical name: 6-Undecanone

Synonymous chemical names:
6-undecanone

External chemical identifiers:
CID:CID_13561, ChEBI:CHEBI:165748, ZINC:ZINC000002040174, FDASRS:8JMD3E1SOO, SureChEMBL:SCHEMBL45463, MolPort-001-783-788

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Chemical structure information

SMILES:
CCCCCC(=O)CCCCC

InChI:
InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3

InChIKey:
ZPQAKYPOZRXKFA-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)CCCCC

Functional groups:
CC(C)=O

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP008910

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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: 0.593

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Chemical structure download