Summary

IMPPAT Phytochemical identifier: IMPHY015454

Phytochemical name: (6E,9E)-18,18-dimethoxyoctadeca-6,9-diene

Synonymous chemical names:
9,12-octadecadienal dimethyl acetal

External chemical identifiers:
CID:5366260

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Chemical structure information

SMILES:
CCCCC/C=C/C/C=C/CCCCCCCC(OC)OC

InChI:
InChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-2)22-3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3/b9-8+,12-11+

InChIKey:
AEIAXQVKYHJVFA-MVKOLZDDSA-N

DeepSMILES:
CCCCC/C=C/C/C=C/CCCCCCCCOC))OC

Functional groups:
C/C=C/C, COC(C)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Methoxy fatty acids

NP-Likeness score: 1.091

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Chemical structure download