Summary

IMPPAT Phytochemical identifier: IMPHY016480

Phytochemical name: 7-Isopropyl-7-methyl-nona-3,5-diene-2,8-dione

Synonymous chemical names:
7-isopropyl-7-methyl-nona-3,5-diene-2,8-dione

External chemical identifiers:
CID:5363881

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Chemical structure information

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

InChI:
InChI=1S/C13H20O2/c1-10(2)13(5,12(4)15)9-7-6-8-11(3)14/h6-10H,1-5H3/b8-6+,9-7+

InChIKey:
CVETYAIQGFCEGB-CDJQDVQCSA-N

DeepSMILES:
CC=O)/C=C/C=C/CC=O)C))CC)C))C

Functional groups:
C/C=C/C=C/C(C)=O, 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: 0.911

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Chemical structure download