Summary

IMPPAT Phytochemical identifier: IMPHY015238

Phytochemical name: 2,6,10-Dodecatrienal

Synonymous chemical names:
2.6.10-dodecatrienal

External chemical identifiers:
CID:76538710

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Chemical structure information

SMILES:
CC=CCCC=CCCC=CC=O

InChI:
InChI=1S/C12H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3,6-7,10-12H,4-5,8-9H2,1H3

InChIKey:
RUNKGVUWVSQTNK-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC=CCCC=CC=O

Functional groups:
CC=CC, CC=CC=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: Fatty aldehydes

NP-Likeness score: 2.047

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Chemical structure download