Summary

IMPPAT Phytochemical identifier: IMPHY013860

Phytochemical name: 2,4-Heptadecanedione

Synonymous chemical names:
heptadecane-2,4-dione

External chemical identifiers:
CID:116363, ChEBI:171737, SureChEMBL:SCHEMBL6295743

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)CC(=O)C

InChI:
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16(2)18/h3-15H2,1-2H3

InChIKey:
VZRNDOSIHXJXCH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)CC=O)C

Functional groups:
CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.747

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Chemical structure download