MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one

	Properties	Image
MNX_ID	MNXM32446
reference	chebi:90397
formula	C₁₃H₁₅Cl₂O₄
global charge	-1
mol weight	306.165
InChIKey	VUDQSRFCCHQIIU-UHFFFAOYSA-M
InChI	InChI=1S/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3/p-1
SMILES	CCCCCC(=O)C1=C([O-])C(Cl)=C(OC)C(Cl)=C1O

MNX internals

InChI (mnx)	InChI=1/C13H16Cl2O4/c1-3-4-5-6-7(16)8-11(17)9(14)13(19-2)10(15)12(8)18/h17-18H,3-6H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([C:8]1=[C:11]([OH:17])[C:9]([Cl:14])=[C:13]([O:19][CH3:2])[C:10]([Cl:15])=[C:12]1[OH:18])=[O:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90397 chebi:90397 VUDQSRFCCHQIIU-UHFFFAOYSA-M	1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-) 2,4-dichloro-6-hexanoyl-5-hydroxy-3-methoxyphenolate DIF 1(1-) DIF-1(1-) differentiation-inducing factor 1(1-) differentiation-inducing factor-1(1-)
sabiork.compound:28889 sabiorkM:28889 VUDQSRFCCHQIIU-UHFFFAOYSA-N	1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one DIF-1
CHEBI:64598 chebi:64598 VUDQSRFCCHQIIU-UHFFFAOYSA-N	1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one 1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone C13H16Cl2O4 DIF 1 DIF-1 Dif-1 (dictyostelium) Differentiation-inducing factor 1 Morphogen differentiation inducing factor (dictyostelium) differentiation-inducing factor-1
hmdb:HMDB0251253 VUDQSRFCCHQIIU-UHFFFAOYSA-N	Dictyostelium 1-((3,5-Dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one 1-DIF (dictyostelium) C13H16CL2O4 DIF 1 DIF factor Dif-1 (dictyostelium) Differentiation inducing factor Differentiation-inducing factor 1 Differentiation-inducing factor-1 Morphogen differentiation inducing factor (dictyostelium)