Summary

IMPPAT Phytochemical identifier: IMPHY016476

Phytochemical name: 6,6,7-Trimethyl-octane-2,5-dione

Synonymous chemical names:
6,6,7-trimethyl-octane-2,5-dione

External chemical identifiers:
CID:538687

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Chemical structure information

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

InChI:
InChI=1S/C11H20O2/c1-8(2)11(4,5)10(13)7-6-9(3)12/h8H,6-7H2,1-5H3

InChIKey:
QPTLYGFCEKVAOB-UHFFFAOYSA-N

DeepSMILES:
CC=O)CCC=O)CCC)C))C)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: 0.598

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Chemical structure download