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4-(4-hydroxyphenyl)-2-oxobutanoate

PropertiesImage
MNX_IDMNXM147813 Image of MNXM147813
referencemetacycM:CPD-17728
formulaC10H9O4
global charge-1
mol weight193.178
InChIKeyOZEGCCCPLQVTEE-UHFFFAOYSA-M
InChIInChI=1S/C10H10O4/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,11H,3,6H2,(H,13,14)/p-1
SMILESO=C([O-])C(=O)CCC1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C10H10O4/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,11H,3,6H2,(H,13,14) Image of MNXM147813
SMILES (mnx)[CH:1]1=[CH:4][C:8]([OH:11])=[CH:5][CH:2]=[C:7]1[CH2:3][CH2:6][C:9]([C:10]([OH:13])=[O:14])=[O:12]
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
IdentifierDescription

metacyc.compound:CPD-17728
metacycM:CPD-17728
seed.compound:cpd33961
seedM:cpd33961
OZEGCCCPLQVTEE-UHFFFAOYSA-M
4-(4-hydroxyphenyl)-2-oxobutanoate
4-(4-hydroxyphenyl)-2-oxobutanoic acid

seedM:M_cpd33961
secondary/obsolete/fantasy identifier