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

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2-acetylphloroglucinol

	Properties	Image
MNX_ID	MNXM34163
reference	chebi:64344
formula	C₈H₈O₄
global charge	0
mol weight	168.148
InChIKey	XLEYFDVVXLMULC-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
SMILES	CC(=O)C1=C(O)C=C(O)C=C1O

MNX internals

InChI (mnx)	InChI=1/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
SMILES (mnx)	[CH3:1][C:4]([C:8]1=[C:6]([OH:11])[CH:2]=[C:5]([OH:10])[CH:3]=[C:7]1[OH:12])=[O:9]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64344 chebi:64344 XLEYFDVVXLMULC-UHFFFAOYSA-N	2-acetylphloroglucinol 1-(2,4,6-trihydroxyphenyl)ethanone 2',4',6'-trihydroxyacetophenone 2,4,6-trihydroxyacetophenone THAP acetophloroglucine acetylphloroglucinol monoacetylphloroglucinol phloracetophenone phloroacetophenone
hmdb:HMDB0029644 XLEYFDVVXLMULC-UHFFFAOYSA-N	2',4',6'-Trihydroxyacetophenone 1-(2,4, 6-Trihydroxyphenyl)ethanone 1-(2,4,6-Trihydroxyphenyl)-ethanone 1-(2,4,6-Trihydroxyphenyl)ethanone 1-(2,4,6-Trihydroxyphenyl)ethanone, 9ci 1-(2,4,6-trihydroxyphenyl)ethan-1-one 2',4',6'-Trihydroxy-acetophenone 2',4',6'-Trihydroxyacetophenone monohydrate 2,4,-Dihydroxy-acetophenone 2,4,6-THA 2,4,6-Trihydroxy-acetophenone 2,4,6-Trihydroxyacetophenone 2,4,6-trihydroxyacetophenone 2-Acetyl-1,3,5-benzenetriol 2-Acetylphloroglucinol 4-mono-Hydroxy-acetophenone Acetophenone, 2',4',6'-trihydroxy- (8ci) Acetophloroglucine Acetophloroglucinol Acetylphloroglucinol Monoacetylphloroglucinol Phloracetophene Phloracetophenone Phloroacetophenone THAP
seed.compound:cpd35422 seedM:cpd35422 XLEYFDVVXLMULC-UHFFFAOYSA-N	2',4',6'-trihydroxyacetophenone 2-acetylphloroglucinol acetophloroglucine acetylphloroglucinol monoacetylphloroglucinol
kegg.compound:C21895 keggC:C21895 XLEYFDVVXLMULC-UHFFFAOYSA-N	2-Acetylphloroglucinol Monoacetylphloroglucinol
metacyc.compound:CPD-19213 metacycM:CPD-19213 XLEYFDVVXLMULC-UHFFFAOYSA-N	2-acetylphloroglucinol 2',4',6'-trihydroxyacetophenone acetophloroglucine acetylphloroglucinol monoacetylphloroglucinol
hmdb:HMDB29644 keggC:M_C21895 seedM:M_cpd35422	secondary/obsolete/fantasy identifier