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

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3',4'-dihydroxyacetophenone

	Properties	Image
MNX_ID	MNXM101772
reference	chebi:19868
formula	C₈H₈O₃
global charge	0
mol weight	152.149
InChIKey	UCQUAMAQHHEXGD-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
SMILES	CC(=O)C1=CC=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
SMILES (mnx)	[CH3:1][C:5]([C:6]1=[CH:4][C:8]([OH:11])=[C:7]([OH:10])[CH:3]=[CH:2]1)=[O:9]

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:19868 chebi:19868 UCQUAMAQHHEXGD-UHFFFAOYSA-N	3',4'-dihydroxyacetophenone 1-(3,4-dihydroxyphenyl)ethan-1-one 3,4-Dihydroxyacetophenone 4-Acetylpyrocatechol
seed.compound:cpd07561 seedM:cpd07561 kegg.compound:C10675 keggC:C10675 UCQUAMAQHHEXGD-UHFFFAOYSA-N	3',4'-Dihydroxyacetophenone
hmdb:HMDB0029661 UCQUAMAQHHEXGD-UHFFFAOYSA-N	3',4'-Dihydroxyacetophenone 1-(3,4-Dihydroxyphenyl)-ethanone 1-(3,4-Dihydroxyphenyl)ethan-1-one 1-(3,4-Dihydroxyphenyl)ethanone 1-(3,4-Dihydroxyphenyl)ethanone, 9ci 1-(3,4-dihydroxyphenyl)ethan-1-one 3',4'-dihydroxyacetophenone 3,4-Dihydroxyacetophenone 4-Acetocatechol 4-Acetopyrocatechol 4-Acetyl-1,2-benzenediol 4-Acetylcatechol 4-Acetylpyrocatechol Acetophenone-3',4'-dihydroxy Acetopyrocatechol Acetylpyrocatechol Qingxintong
CHEBI:69446 chebi:69446 UCQUAMAQHHEXGD-UHFFFAOYSA-N	3,4-dihydroxyacetophenone 4-Acetylpyrocatechol Ethanone, 1-(3,4-dihydroxyphenyl)-
envipath:...72a8c14d9598 envipathM:...72a8c14d9598 UCQUAMAQHHEXGD-UHFFFAOYSA-N	compound 0001622
envipath:...16dee4a4c467 envipathM:...16dee4a4c467 UCQUAMAQHHEXGD-UHFFFAOYSA-N	compound 0284658
hmdb:HMDB29661 chebi:1323 keggC:M_C10675 seedM:M_cpd07561	secondary/obsolete/fantasy identifier