Summary

IMPPAT Phytochemical identifier: IMPHY009532

Phytochemical name: 4-Hydroxy-2H-pyran-3-carboxaldehyde

Synonymous chemical names:
3-formyl-4-hydroxy-2h-pyran

External chemical identifiers:
CID:131751152

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Chemical structure information

SMILES:
O/C=C1/COC=CC1=O

InChI:
InChI=1S/C6H6O3/c7-3-5-4-9-2-1-6(5)8/h1-3,7H,4H2/b5-3-

InChIKey:
NNCHGLIOTHYDFR-HYXAFXHYSA-N

DeepSMILES:
O/C=C/COC=CC/6=O

Functional groups:
O=C1C=COC/C1=C/O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1COC=CC1=O

Scaffold Graph/Node level:
CC1COCCC1O

Scaffold Graph level:
CC1CCCCC1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 1.807

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Chemical structure download