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(S)-mandelate

MNXM1097 is deprecated and here replaced by MNXM726677
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726677 Image of MNXM726677
referencechebi:17756
formulaC8H7O3
global charge-1
mol weight151.141
InChIKeyIWYDHOAUDWTVEP-ZETCQYMHSA-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/t7-/m0/s1
SMILESO=C([O-])[C@@H](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-/m0/s1 Image of MNXM726677
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:6]([C@@H: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)13
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17756
chebi:17756
IWYDHOAUDWTVEP-ZETCQYMHSA-M 		(S)-mandelate
(2S)-hydroxy(phenyl)acetate

envipath:...6259eec8d173
envipathM:...6259eec8d173
IWYDHOAUDWTVEP-ZETCQYMHSA-M 		(S)-Mandelate

seed.compound:cpd01358
seedM:cpd01358
IWYDHOAUDWTVEP-ZETCQYMHSA-M 		(S)-Mandelate
(S)-2-Hydroxy-2-phenylacetate
(S)-2-Hydroxy-2-phenylacetic acid
(S)-2-hydroxy-2-phenylacetate
(S)-2-hydroxy-2-phenylacetic acid
(S)-Mandelic acid
(S)-mandelate
(S)-mandelic acid
L--mandelate

sabiork.compound:2348
sabiorkM:2348
kegg.compound:C01984
keggC:C01984
IWYDHOAUDWTVEP-ZETCQYMHSA-N 		(S)-Mandelate
(S)-2-Hydroxy-2-phenylacetate
(S)-2-Hydroxy-2-phenylacetic acid
(S)-Mandelic acid

metacyc.compound:CPD-122
metacycM:CPD-122
IWYDHOAUDWTVEP-ZETCQYMHSA-M 		(S)-mandelate
(S)-2-hydroxy-2-phenylacetate
(S)-2-hydroxy-2-phenylacetic acid
(S)-mandelic acid
L--mandelate

CHEBI:32800
chebi:32800
IWYDHOAUDWTVEP-ZETCQYMHSA-N 		(S)-mandelic acid
(2S)-hydroxy(phenyl)acetic acid
(S)-2-Hydroxy-2-phenylacetic acid
(S)-MANDELIC ACID
(S)-Mandelic acid
(S)-Mandelsaeure
(S)-alpha-hydroxybenzeneacetic acid
L-mandelic acid
hmdb:HMDB0000703
IWYDHOAUDWTVEP-ZETCQYMHSA-N 		Mandelic acid
(2S)-2-hydroxy-2-phenylacetic acid
(RS)-Mandelate
(RS)-Mandelic acid
(S)-2-Hydroxy-2-phenylacetate
(S)-2-Hydroxy-2-phenylacetic acid
(S)-Mandelate
(S)-Mandelic acid
(S)-Mandelsaeure
(S)-a-Hydroxybenzeneacetate
(S)-a-Hydroxybenzeneacetic acid
(S)-alpha-Hydroxybenzeneacetate
(S)-alpha-Hydroxybenzeneacetic acid
(S)-alpha-hydroxybenzeneacetate
(S)-alpha-hydroxybenzeneacetic acid
(S)-mandelic acid
2-Hydroxy-2-phenylacetate
2-Hydroxy-2-phenylacetic acid
2-Hydroxy-2-phenylethanoate
2-Hydroxy-2-phenylethanoic acid
2-Phenyl-2-hydroxyacetate
2-Phenyl-2-hydroxyacetic acid
2-Phenylglycolate
2-Phenylglycolic acid
Almond acid
Amygdalate
Amygdalic acid
DL-Amygdalate
DL-Amygdalic acid
DL-Hydroxy(phenyl)acetate
DL-Hydroxy(phenyl)acetic acid
DL-Mandelate
DL-Mandelic acid
L-Mandelate
L-Mandelic acid
Mandelate
Paramandelate
Paramandelic acid
Phenylglycolate
Phenylglycolic acid
Phenylhydroxyacetate
Phenylhydroxyacetic acid
Uromaline
a-Hydroxy-a-toluate
a-Hydroxy-a-toluic acid
a-Hydroxybenzeneacetate
a-Hydroxybenzeneacetic acid
a-Hydroxyphenylacetate
a-Hydroxyphenylacetic acid
alpha-Hydroxy-alpha-toluate
alpha-Hydroxy-alpha-toluic acid
alpha-Hydroxybenzeneacetate
alpha-Hydroxybenzeneacetic acid
alpha-Hydroxyphenylacetate
alpha-Hydroxyphenylacetic acid

hmdb:HMDB00703
chebi:11034
chebi:11067
chebi:18786
chebi:18787
chebi:424
chebi:45767
keggC:M_C01984
seedM:M_cpd01358 		secondary/obsolete/fantasy identifier