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(R)-3,4-dihydroxymandelate

MNXM90911 is deprecated and replaced by MNXM3473
PropertiesImage
MNX_IDMNXM3473 Image of MNXM3473
referencechebi:180944
formulaC8H7O5
global charge-1
mol weight183.139
InChIKeyRGHMISIYKIHAJW-SSDOTTSWSA-M
InChIInChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)/p-1/t7-/m1/s1
SMILESO=C([O-])[C@H](O)C1=CC(O)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)/t7-/m1/s1 Image of MNXM3473
SMILES (mnx)[CH:1]1=[CH:2][C:5]([OH:9])=[C:6]([OH:10])[CH:3]=[C:4]1[C@H:7]([C:8](=[O:12])[OH:13])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:180944
chebi:180944
RGHMISIYKIHAJW-SSDOTTSWSA-M 		(R)-3,4-dihydroxymandelate
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetate

bigg.metabolite:34dhoxmand
biggM:34dhoxmand
RGHMISIYKIHAJW-UHFFFAOYSA-M 		3,4-Dihydroxymandelate

vmhM:34dhoxmand
vmhmetabolite:34dhoxmand
RGHMISIYKIHAJW-UHFFFAOYSA-M 		3,4-Dihydroxymandelate
2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid

kegg.compound:C05580
keggC:C05580
RGHMISIYKIHAJW-UHFFFAOYSA-N 		3,4-Dihydroxymandelate
3,4-Dihydroxymandelic acid
Dihydroxymandelic acid
hmdb:HMDB0001866
RGHMISIYKIHAJW-UHFFFAOYSA-N 		3,4-Dihydroxymandelic acid
(3,4-Dihydroxyphenyl)(hydroxy)acetate
(3,4-Dihydroxyphenyl)(hydroxy)acetic acid
2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
3,4 Dihydroxymandelate
3,4 Dihydroxymandelic acid
3,4-Dihydroxymandelate
3,4-Dihydroxymandelic acid, (+-)-isomer
3,4-Dihydroxymandelic acid, (S)-isomer
3,4-Dihydroxymandelic acid, ion(1-)
3,4-Dihydroxymandelic acid, monosodium salt
3,4-Dihydroxyphenylglycolate
3,4-Dihydroxyphenylglycolic acid
DHMA
DOMA
Dihydroxymandelate
Dihydroxymandelic acid
dihydroxymandelic acid

sabiork.compound:26612
sabiorkM:26612
RGHMISIYKIHAJW-UHFFFAOYSA-M 		3,4-Dihydroxyphenylglycolate
(3,4-Dihydroxyphenyl)(hydroxy)acetate

CHEBI:53326
chebi:53326
RGHMISIYKIHAJW-UHFFFAOYSA-M 		3,4-dihydroxymandelate
(3,4-dihydroxyphenyl)(hydroxy)acetate
2-(3,4-dihydroxyphenyl)-2-hydroxyacetate

metacyc.compound:CPD-11879
metacycM:CPD-11879
RGHMISIYKIHAJW-SSDOTTSWSA-M 		3,4-dihydroxymandelate
3,4-dihydroxymandelic acid
DHMA
dihydroxymandelic acid
mandelic acid, 3,4-dihydroxy-

CHEBI:27637
chebi:27637
RGHMISIYKIHAJW-UHFFFAOYSA-N 		3,4-dihydroxymandelic acid
(3,4-dihydroxyphenyl)(hydroxy)acetic acid
2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
3,4-Dihydroxymandelate
3,4-Dihydroxymandelic acid
3,4-Dihydroxyphenylglycolic acid
DOMA
Dihydroxymandelic acid

seed.compound:cpd03310
seedM:cpd03310
RGHMISIYKIHAJW-SSDOTTSWSA-M 		Dihydroxymandelic acid
3,4-Dihydroxymandelate
3,4-Dihydroxymandelic acid
3,4-dihydroxymandelate
3,4-dihydroxymandelic acid
DHMA
dihydroxymandelic acid
mandelic acid, 3,4-dihydroxy-

envipath:...d5790e05f0d6
envipathM:...d5790e05f0d6
RGHMISIYKIHAJW-UHFFFAOYSA-M 		compound 0001288

envipath:...c12069a3745d
envipathM:...c12069a3745d
RGHMISIYKIHAJW-UHFFFAOYSA-M 		compound 0060573

hmdb:HMDB01866
chebi:1383
chebi:19884
biggM:M_34dhoxmand
keggC:M_C05580
seedM:M_cpd03310
vmhM:M_34dhoxmand 		secondary/obsolete/fantasy identifier