Summary

IMPPAT Phytochemical identifier: IMPHY013170

Phytochemical name: 2-Methyl-3-nonacosanone

Synonymous chemical names:
2-methylnonacosan-3-one

External chemical identifiers:
CID:14058700, ChEBI:175528, ZINC:ZINC000086051762

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C)C

InChI:
InChI=1S/C30H60O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30(31)29(2)3/h29H,4-28H2,1-3H3

InChIKey:
HWDHIBLILCSTPN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CC)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: 0.294

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Chemical structure download