Summary

IMPPAT Phytochemical identifier: IMPHY011036

Phytochemical name: 3-Undecanone

Synonymous chemical names:
3-undecanone

External chemical identifiers:
CID:75189, ZINC:ZINC000001605988, SureChEMBL:SCHEMBL888107

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Chemical structure information

SMILES:
CCCCCCCCC(=O)CC

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

InChIKey:
YNMZZHPSYMOGCI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)CC

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: 0.857

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Chemical structure download