Summary

IMPPAT Phytochemical identifier: IMPHY016244

Phytochemical name: 2-Isononenal

Synonymous chemical names:
2-isononenal

External chemical identifiers:
CID:87291600, SureChEMBL:SCHEMBL1783808

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Chemical structure information

SMILES:
O=C/C=C/CCCC(C)C

InChI:
InChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+

InChIKey:
FZVMEYWMTUXZJF-GQCTYLIASA-N

DeepSMILES:
O=C/C=C/CCCCC)C

Functional groups:
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: 2.331

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Chemical structure download