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

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dibromothymoquinone

	Properties	Image
MNX_ID	MNXM50472
reference	chebi:19371
formula	C₁₀H₁₀Br₂O₂
global charge	0
mol weight	321.996
InChIKey	GHHZELQYJPWSMG-UHFFFAOYSA-N
InChI	InChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3
SMILES	CC1=C(Br)C(=O)C(C(C)C)=C(Br)C1=O

MNX internals

InChI (mnx)	InChI=1/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3
SMILES (mnx)	[CH3:1][CH:4]([CH3:2])[C:6]1=[C:8]([Br:12])[C:9](=[O:13])[C:5]([CH3:3])=[C:7]([Br:11])[C:10]1=[O:14]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:19371 chebi:19371 GHHZELQYJPWSMG-UHFFFAOYSA-N	dibromothymoquinone 2,5-dibromo-3-isopropyl-6-methyl-1,4-benzoquinone 2,5-dibromo-3-isopropyl-6-methylbenzoquinone 2,5-dibromo-3-methyl-6-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 2,5-dibromo-3-methyl-6-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 2,5-dibromo-3-methyl-6-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione DBMIB
seed.compound:cpd22642 seedM:cpd22642 GHHZELQYJPWSMG-UHFFFAOYSA-N	2,5-cyclohexadiene-1,4-dione, 2,5-dibromo-3-methyl-6-(1-methylethyl)- 2,5-dibromo-3-isopropyl-6-methylbenzo-1,4-quinone 2,5-dibromo-3-isopropyl-6-methylbenzoquinone 2,5-dibromo-3-methyl-6-isopropyl-p-benzoquinone 2,5-dibromo-6-isopropyl-3-methyl-1,4-benzoquinone dibromothymoquinone
sabiork.compound:18811 sabiorkM:18811 GHHZELQYJPWSMG-UHFFFAOYSA-N	Dibromothymoquinone
metacyc.compound:CPD-10338 metacycM:CPD-10338 GHHZELQYJPWSMG-UHFFFAOYSA-N	dibromothymoquinone 2,5-cyclohexadiene-1,4-dione, 2,5-dibromo-3-methyl-6-(1-methylethyl)- 2,5-dibromo-3-isopropyl-6-methylbenzo-1,4-quinone 2,5-dibromo-3-isopropyl-6-methylbenzoquinone 2,5-dibromo-3-methyl-6-isopropyl-p-benzoquinone 2,5-dibromo-6-isopropyl-3-methyl-1,4-benzoquinone
seedM:M_cpd22642	secondary/obsolete/fantasy identifier