Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013737

Phytochemical name: 2-Methyl-6-methylene-2,7-octadienal

Synonymous chemical names:
2-methyl-6-methylene-2,7-octadienal

External chemical identifiers:
CID:CID_14400165

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Chemical structure information

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

InChI:
InChI=1S/C10H14O/c1-4-9(2)6-5-7-10(3)8-11/h4,7-8H,1-2,5-6H2,3H3/b10-7+

InChIKey:
NDYNCPVWWPJJKN-JXMROGBWSA-N

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

Functional groups:
C=CC(=C)C, C/C=C(\C)C=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 3.529

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Chemical structure download