Summary

IMPPAT Phytochemical identifier: IMPHY002396

Phytochemical name: Turpentine

Synonymous chemical names:
turpentine

Chemical structure information

SMILES:
CCOC(=O)C(CC(=O)OCC)(CC(=O)OCC)O

InChI:
InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

InChIKey:
DOOTYTYQINUNNV-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCC=O)OCC)))))CC=O)OCC)))))O

Functional groups:
CO, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Tricarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.633

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Chemical structure download