Summary

IMPPAT Phytochemical identifier: IMPHY017158

Phytochemical name: Nonylglyoxal

Synonymous chemical names:
trans-10-methyldecalone

External chemical identifiers:
CID:167602, SureChEMBL:SCHEMBL1562758

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)C=O

InChI:
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-11(13)10-12/h10H,2-9H2,1H3

InChIKey:
MAIYNPKSRZDSSQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)C=O

Functional groups:
CC(=O)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: Fatty aldehydes

NP-Likeness score: 0.756

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Chemical structure download