Search MNXref
 Feedback

mandelate

PropertiesImage
MNX_IDMNXM726678 Image of MNXM726678
referencechebi:25147
formulaC8H7O3
global charge-1
mol weight151.141
InChIKeyIWYDHOAUDWTVEP-UHFFFAOYSA-M
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1
SMILESO=C([O-])C(O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7? Image of MNXM726678
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:6]([CH:7]([C:8](=[O:10])[OH:11])[OH:9])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:25147
chebi:25147
IWYDHOAUDWTVEP-UHFFFAOYSA-M 		mandelate
2-hydroxy-2-(4-hydroxyphenyl)acetate
alpha-hydroxybenzeneacetate
alpha-hydroxybenzeneacetic acid, ion(1-)
hydroxy(phenyl)acetate
mandelate ion

sabiork.compound:20029
sabiorkM:20029
IWYDHOAUDWTVEP-UHFFFAOYSA-M 		Mandelate
2-Hydroxy-2-phenyl-acetate

envipath:...7588c6a59616
envipathM:...7588c6a59616
IWYDHOAUDWTVEP-UHFFFAOYSA-M 		compound 0042531

CHEBI:35825
chebi:35825
IWYDHOAUDWTVEP-UHFFFAOYSA-N 		mandelic acid
(RS)-Mandelic acid
2-Hydroxy-2-phenylacetic acid
2-Hydroxy-2-phenylethanoic acid
DL-Mandelic acid
Mandelsaeure
alpha-hydroxybenzeneacetic acid
hydroxy(phenyl)acetic acid

chebi:25149
chebi:32801 		secondary/obsolete/fantasy identifier