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(S)-4-hydroxymandelate

PropertiesImage
MNX_IDMNXM1301 Image of MNXM1301
referencechebi:17210
formulaC8H7O4
global charge-1
mol weight167.14
InChIKeyYHXHKYRQLYQUIH-ZETCQYMHSA-M
InChIInChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/p-1/t7-/m0/s1
SMILESO=C([O-])[C@@H](O)C1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1 Image of MNXM1301
SMILES (mnx)[CH:1]1=[CH:3][C:6]([OH:9])=[CH:4][CH:2]=[C:5]1[C@@H:7]([C:8](=[O:11])[OH:12])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9856722
reactomeM:R-ALL-9856722
CHEBI:17210
chebi:17210
YHXHKYRQLYQUIH-ZETCQYMHSA-M 		(S)-4-hydroxymandelate
(2S)-hydroxy(4-hydroxyphenyl)acetate

seed.compound:cpd02043
seedM:cpd02043
YHXHKYRQLYQUIH-ZETCQYMHSA-M 		(S)-4-Hydroxymandelate
(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate
(S)-2-hydroxy-2-(4-hydroxyphenyl)acetate
(S)-4-hydroxymandelate
L-4-hydroxymandelate
L-p-hydroxymandelate

kegg.compound:C03198
keggC:C03198
YHXHKYRQLYQUIH-ZETCQYMHSA-N 		(S)-4-Hydroxymandelate
(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate
L-4-Hydroxymandelate
L-p-Hydroxymandelate

metacyc.compound:CPD-106
metacycM:CPD-106
YHXHKYRQLYQUIH-ZETCQYMHSA-M 		(S)-4-hydroxymandelate
(S)-2-hydroxy-2-(4-hydroxyphenyl)acetate
L-4-hydroxymandelate
L-p-hydroxymandelate

CHEBI:32802
chebi:32802
YHXHKYRQLYQUIH-ZETCQYMHSA-N 		(S)-4-hydroxymandelic acid
(2S)-hydroxy(4-hydroxyphenyl)acetic acid
(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate
(S)-4-Hydroxymandelate
4-hydroxy-L-mandelic acid

chebi:11032
chebi:11052
chebi:18757
chebi:18758
chebi:405
keggC:M_C03198
seedM:M_cpd02043 		secondary/obsolete/fantasy identifier