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

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1-(2,4,5-Trihydroxyphenyl)-1-butanone

	Properties	Image
MNX_ID	MNXM115815
reference	chebi:173969
formula	C₁₀H₁₂O₄
global charge	0
mol weight	196.202
InChIKey	SRUQARLMFOLRDN-UHFFFAOYSA-N
InChI	InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3
SMILES	CCCC(=O)C1=C(O)C=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][C:7]([C:6]1=[CH:4][C:9]([OH:13])=[C:10]([OH:14])[CH:5]=[C:8]1[OH:12])=[O:11]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:173969 chebi:173969 SRUQARLMFOLRDN-UHFFFAOYSA-N	1-(2,4,5-Trihydroxyphenyl)-1-butanone 1-(2,4,5-trihydroxyphenyl)butan-1-one
hmdb:HMDB0037177 SRUQARLMFOLRDN-UHFFFAOYSA-N	1-(2,4,5-Trihydroxyphenyl)-1-butanone 1-(2,4,5-Trihydroxyphenyl)butan-1-one 1-(2,4,5-trihydroxyphenyl)butan-1-one 1-Butanone, 1-(2,4,5-trihydroxyphenyl) 2',4',5'-Trihydroxy-butyrophenone 2',4',5'-Trihydroxybutyrophenone 2',4',5'-Trihydroxybutyrophenone, 8ci 2,4,5-Trihydroxybutyrophenone 2,4,5-trihydroxybutyrophenone 5,6,7,8-Tetrahydrobiopterin 5,6,7,8-Tetrahydrobiopterin, (S-(r,s))-isomer 5,6,7,8-Tetrahydrodictyopterin 5,6,7,8-erythro-Tetrahydrobiopterin 5,6,7,8-tetrahydro-L-Erythrobiopterin 5-Butanoyl-1,2,4-benzeneetriol 6R-BH4 6R-L-erythro-5,6,7,8-Tetrahydrobiopterin BPH4 D-threo-Tetrahydrobiopterin Kuvan Phenylalanine hydroxylase cofactor Sapropterin Sapropterin dihydrochloride THBP Tetrahydrobiopterin Trihydroxybutyrophenone tetrahydro-6-Biopterin
hmdb:HMDB37177	secondary/obsolete/fantasy identifier