HEPTAN-1-AL

Structure

2D structure of HEPTAN-1-AL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 8130

Names and identifiers

Name

HEPTAN-1-AL

IUPAC name

heptanal

SMILES

CCCCCCC=O

General information

Molecular formula

C7H14O

Molecular weight

114.19 g/mol

Monoisotopic mass

114.1045 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Arctium lappa L. root -
Jim Duke's personal files.
Daucus carota L. root 2 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Mentha spicata L. - -
Duke, J. A. Writeups or information summaries on approximately 2,000 economic plants, USDA, ARS, Beltsville, MD 20705.
Mentha spicata L. essential oil -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Sambucus nigra L. flower, essential oil -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Triticum aestivum L. subsp. aestivum aerial parts -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.