Summary

IMPPAT Phytochemical identifier: IMPHY015157

Phytochemical name: 12-Tridecenal

Synonymous chemical names:
12-tridecenal

External chemical identifiers:
CID:57284057, SureChEMBL:SCHEMBL1701372

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Chemical structure information

SMILES:
C=CCCCCCCCCCCC=O

InChI:
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,13H,1,3-12H2

InChIKey:
NNIGUEYKNYGPNH-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCCCC=O

Functional groups:
C=CC, CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty aldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.128

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Chemical structure download