Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000966

Phytochemical name: 4,7-Decadienal, (Z,Z)-

Synonymous chemical names:
(z,z)4,7-decadienal

External chemical identifiers:
CID:CID_53249445, FDASRS:0D7ZQ53IJI, SureChEMBL:SCHEMBL7756368

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Chemical structure information

SMILES:
CC/C=C\C/C=C\CCC=O

InChI:
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6-

InChIKey:
MZLGFRRNMCCNBB-CWWKMNTPSA-N

DeepSMILES:
CC/C=C\C/C=C\CCC=O

Functional groups:
C/C=C\C, 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: 2.303

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Chemical structure download