Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017924

Phytochemical name: 9-Acetoxynonanal

Synonymous chemical names:
9-Acetoxynonanal

External chemical identifiers:
CID:CID_537145

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Chemical structure information

SMILES:
O=CCCCCCCCCOC(=O)C

InChI:
InChI=1S/C11H20O3/c1-11(13)14-10-8-6-4-2-3-5-7-9-12/h9H,2-8,10H2,1H3

InChIKey:
LIOHXTBHAXATAT-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCCCCOC=O)C

Functional groups:
CC=O, COC(C)=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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.263

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Chemical structure download