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(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one

Properties

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Occurences in reactions

MNX_ID

MNXM165449

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₁₂H₁₄ClO₄

charge

-1

mass

257.05861

reference

InChIKey

OTRYFPNTAFPSBU-UHFFFAOYSA-M

InChI

InChI=1S/C12H15ClO4/c1-2-3-4-5-7(14)10-8(15)6-9(16)11(13)12(10)17/h6,15-17H,2-5H2,1H3/p-1

SMILES

CCCCCC(=O)c1c(O)cc([O-])c(Cl)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:152555 chebi:152555	(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-) 2-chloro-4-hexanoyl-3,5-dihydroxyphenolate Cl-THPH(1-) chloro-THPH(1-)
CHEBI:153569 chebi:153569	(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one 1-(2,4,6-trihydroxy-3-chlorophenyl)-1-hexanone 1-(3-chloro-2,4,6-trihydroxyphenyl)-1-hexanone 1-(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one Cl-THPH chloro-THPH
sabiork.compound:28888 sabiorkM:28888	1-(3-Chloro-2,4,6-trihydroxyphenyl)hexan-1-one Chloro-THPH