Summary

IMPPAT Phytochemical identifier: IMPHY014028

Phytochemical name: 2-(Ethoxymethyl)-3,5-dihydroxypyran-4-one

Synonymous chemical names:
argutone

External chemical identifiers:
CID:3082639

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Chemical structure information

SMILES:
CCOCc1occ(c(=O)c1O)O

InChI:
InChI=1S/C8H10O5/c1-2-12-4-6-8(11)7(10)5(9)3-13-6/h3,9,11H,2,4H2,1H3

InChIKey:
TWAONCHXNZRCCW-UHFFFAOYSA-N

DeepSMILES:
CCOCcoccc=O)c6O)))O

Functional groups:
COC, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccocc1

Scaffold Graph/Node level:
OC1CCOCC1

Scaffold Graph level:
CC1CCCCC1

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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 Classifier Superclass: Cyclic polyketides

NP Classifier Class: 4-pyrone derivatives

NP-Likeness score: 1.273

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Chemical structure download