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4-hydroxy-6-(2-oxoheptyl)pyran-2-one

PropertiesImage
MNX_IDMNXM22027 Image of MNXM22027
referencechebi:66959
formulaC12H16O4
global charge0
mol weight224.256
InChIKeyGHURLXDGHMZIGJ-UHFFFAOYSA-N
InChIInChI=1S/C12H16O4/c1-2-3-4-5-9(13)6-11-7-10(14)8-12(15)16-11/h7-8,14H,2-6H2,1H3
SMILESCCCCCC(=O)CC1=CC(O)=CC(=O)O1
MNX internals
InChI (mnx)InChI=1/C12H16O4/c1-2-3-4-5-9(13)6-11-7-10(14)8-12(15)16-11/h7-8,14H,2-6H2,1H3 Image of MNXM22027
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:9]([CH2:6][C:11]1=[CH:7][C:10]([OH:14])=[CH:8][C:12](=[O:15])[O:16]1)=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66959
chebi:66959
GHURLXDGHMZIGJ-UHFFFAOYSA-N 		4-hydroxy-6-(2-oxoheptyl)pyran-2-one
4-hydroxy-6-(2-oxoheptyl)-2-pyranone
4-hydroxy-6-(2-oxoheptyl)-2H-pyran-2-one
HTAL
hexanoyltriacetic acid lactone

sabiork.compound:31807
sabiorkM:31807
GHURLXDGHMZIGJ-UHFFFAOYSA-M 		Hexanoyl tetraketide pyrone
2-Oxo-6-(2-oxoheptyl)pyran-4-olate

metacyc.compound:CPD-11506
metacycM:CPD-11506
GHURLXDGHMZIGJ-UHFFFAOYSA-M 		tetraketide 2-pyrone
HTAL
hexanoyl triacetic acid lactone

seed.compound:cpd22976
seedM:cpd22976
GHURLXDGHMZIGJ-UHFFFAOYSA-N 		tetraketide pyrone
HTAL
hexanoyl triacetic acid lactone

seedM:M_cpd22976 		secondary/obsolete/fantasy identifier