Summary

IMPPAT Phytochemical identifier: IMPHY017379

Phytochemical name: cis-Undec-4-enal

Synonymous chemical names:
(z)-4-undecenal

External chemical identifiers:
CID:5362881, FDASRS:F6B9B294HC, SureChEMBL:SCHEMBL10629778

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Chemical structure information

SMILES:
CCCCCC/C=CCCC=O

InChI:
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-8,11H,2-6,9-10H2,1H3/b8-7-

InChIKey:
QGNDNDFXCNBMKI-FPLPWBNLSA-N

DeepSMILES:
CCCCCC/C=CCCC=O

Functional groups:
C/C=CC, CC=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: 1.762

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Chemical structure download