Summary

IMPPAT Phytochemical identifier: IMPHY016660

Phytochemical name: Farnesyl-acetaldehyde

Synonymous chemical names:
farnesylacetaldehyde

External chemical identifiers:
CID:549645

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Chemical structure information

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

InChI:
InChI=1S/C17H28O/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18/h9-10,13-14H,5-8,11-12H2,1-4H3

InChIKey:
IDHMAJKSCCNULC-UHFFFAOYSA-N

DeepSMILES:
O=CCCC=CCCC=CCCC=CC)C)))))C)))))C

Functional groups:
CC=C(C)C, CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.868

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Chemical structure download