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

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2',4,4',6'-tetrahydroxychalcone

	Properties	Image
MNX_ID	MNXM727324
reference	chebi:15413
formula	C₁₅H₁₂O₅
global charge	0
mol weight	272.256
InChIKey	YQHMWTPYORBCMF-ZZXKWVIFSA-N
InChI	InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
SMILES	O=C(/C=C/C1=CC=C(O)C=C1)C1=C(O)C=C(O)C=C1O

MNX internals

InChI (mnx)	InChI=1/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H/b6-3+
SMILES (mnx)	[CH:1]1=[CH:4][C:10]([OH:16])=[CH:5][CH:2]=[C:9]1/[CH:3]=[CH:6]/[C:12]([C:15]1=[C:13]([OH:19])[CH:7]=[C:11]([OH:17])[CH:8]=[C:14]1[OH:20])=[O:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15413 chebi:15413 YQHMWTPYORBCMF-ZZXKWVIFSA-N	2',4,4',6'-tetrahydroxychalcone (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one 2',4',6',4-tetrahydroxychalcone 2',4,4',6'-Tetrahydroxychalcone 2'4'6'4-Tetrahydroxychalcone Chalconaringenin Isosalipurpol Naringenin chalcone
CHEBI:77645 chebi:77645 YQHMWTPYORBCMF-ZZXKWVIFSA-M	2',4,4',6'-tetrahydroxychalcone(1-) 3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenolate
hmdb:HMDB0029631 YQHMWTPYORBCMF-ZZXKWVIFSA-N	Chalconaringenin (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one 2',4',6',4-Tetrahydroxychalcone 2',4,4',6'-Tetrahydroxychalcone 2'4'6'4-Tetrahydroxychalcone 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one, 9ci Isosalipurpol Naringenin chalcone Naringenin chalcone, (e)-isomer naringenin chalcone
vmhM:ilprpl vmhmetabolite:ilprpl YQHMWTPYORBCMF-ZZXKWVIFSA-N	Isosalipurpol (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
seed.compound:cpd03969 seedM:cpd03969 YQHMWTPYORBCMF-ZZXKWVIFSA-N	Isosalipurpol 2',4, 4',6'-tetrahydroxychalcone 2',4,4',6'-Tetrahydroxychalcone Chalconaringenin Naringenin chalcone naringenin chalcone
lipidmaps:LMPK12120264 lipidmapsM:LMPK12120264 YQHMWTPYORBCMF-ZZXKWVIFSA-N	Naringenin chalcone (2E)- 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-Propen-1-one Chalconaringenin Isosalipurpol trans-2',4,4',6'-Tetrahydroxychalcone
kegg.compound:C06561 keggC:C06561 YQHMWTPYORBCMF-ZZXKWVIFSA-N	Naringenin chalcone 2',4,4',6'-Tetrahydroxychalcone Chalconaringenin Isosalipurpol
sabiork.compound:8729 sabiorkM:8729 YQHMWTPYORBCMF-ZZXKWVIFSA-N	Naringenin chalcone 2',4,4',6'-Tetrahydroxychalcone Isosalipurpol
metacyc.compound:CPD-20012 metacycM:CPD-20012 YQHMWTPYORBCMF-ZZXKWVIFSA-N	naringenin chalcone 2',4,4',6'-tetrahydroxychalcone 3-(4-hydroxyphemyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one chalconaringenin isosalipurpol tetrahydroxychalcone
hmdb:HMDB29631 chebi:10785 chebi:14641 chebi:19219 chebi:6055 keggC:M_C06561 seedM:M_cpd03969 vmhM:M_ilprpl	secondary/obsolete/fantasy identifier