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

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butein

MNXM4497 is deprecated and here replaced by MNXM736300
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM736300
reference	chebi:3237
formula	C₁₅H₁₂O₅
global charge	0
mol weight	272.256
InChIKey	AYMYWHCQALZEGT-ORCRQEGFSA-N
InChI	InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
SMILES	O=C(/C=C/C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
SMILES (mnx)	[CH:1](=[CH:5]/[C:12]([C:11]1=[C:14]([OH:19])[CH:8]=[C:10]([OH:16])[CH:3]=[CH:4]1)=[O:17])\[C:9]1=[CH:7][C:15]([OH:20])=[C:13]([OH:18])[CH:6]=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3237 chebi:3237 AYMYWHCQALZEGT-ORCRQEGFSA-N	butein (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one (E)-2',3,4,4'-terahydroxychalcone 2',3,4,4'-Tetrahydroxychalcone 2',4',3,4-tetrahydroxychalcone 3,4,2',4'-Tetrahydroxychalcone Butein
kegg.compound:C08578 keggC:C08578 lipidmaps:LMPK12120111 lipidmapsM:LMPK12120111 AYMYWHCQALZEGT-ORCRQEGFSA-N	Butein
seed.compound:cpd05485 seedM:cpd05485 AYMYWHCQALZEGT-ORCRQEGFSA-N	Butein 2',4',3,4-tetrahydroxychalcone butein
metacyc.compound:BUTEIN metacycM:BUTEIN AYMYWHCQALZEGT-ORCRQEGFSA-N	butein 2',4',3,4-tetrahydroxychalcone
keggC:M_C08578 seedM:M_cpd05485	secondary/obsolete/fantasy identifier