Summary

IMPPAT Phytochemical identifier: IMPHY017141

Phytochemical name: (2e,4e,6e)-2,4,6-Nonatrienal

Synonymous chemical names:
(e,e,e)-2,4,6-nonatrienal, 2,4,6-nonatrienal

External chemical identifiers:
CID:15755823, ChEBI:137709, FDASRS:D33QZ5NU93, SureChEMBL:SCHEMBL811428

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Chemical structure information

SMILES:
CC/C=C/C=C/C=C/C=O

InChI:
InChI=1S/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-9H,2H2,1H3/b4-3+,6-5+,8-7+

InChIKey:
XHDSWFFUGPJMMN-ARQDATDDSA-N

DeepSMILES:
CC/C=C/C=C/C=C/C=O

Functional groups:
C/C=C/C=C/C=C/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: 2.063

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Chemical structure download