Search MNXref
 Feedback

tropate

PropertiesImage
MNX_IDMNXM2872 Image of MNXM2872
referencechebi:17000
formulaC9H9O3
global charge-1
mol weight165.168
InChIKeyJACRWUWPXAESPB-UHFFFAOYSA-M
InChIInChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1
SMILESO=C([O-])C(CO)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8? Image of MNXM2872
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]([CH:8]([CH2:6][OH:10])[C:9](=[O:11])[OH:12])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17000
chebi:17000
JACRWUWPXAESPB-UHFFFAOYSA-M 		tropate
3-hydroxy-2-phenylpropanoate

envipath:...98b37d37ae1d
envipathM:...98b37d37ae1d
JACRWUWPXAESPB-UHFFFAOYSA-M 		Tropate
hmdb:HMDB0062590
JACRWUWPXAESPB-UHFFFAOYSA-N 		Tropate
(+-)-Tropate
(+-)-Tropic acid
(+-)-tropic acid
2-Phenylhydracrylate
2-Phenylhydracrylic acid
3-Hydroxy-2-phenylpropionate
3-Hydroxy-2-phenylpropionic acid
3-hydroxy-2-phenylpropanoic acid
Tropic acid
Tropic acid, (+-)-isomer
Tropic acid, (R)-isomer
Tropic acid, (S)-isomer
Tropic acid, monosodium salt
a-(Hydroxymethyl)benzeneacetate
a-(Hydroxymethyl)benzeneacetic acid
a-(Hydroxymethyl)phenylacetate
a-(Hydroxymethyl)phenylacetic acid
a-Phenyl-b-hydroxypropionate
a-Phenyl-b-hydroxypropionic acid
alpha-(Hydroxymethyl)benzeneacetate
alpha-(Hydroxymethyl)benzeneacetic acid
alpha-(Hydroxymethyl)phenylacetate
alpha-(Hydroxymethyl)phenylacetic acid
alpha-(hydroxymethyl)benzeneacetate
alpha-(hydroxymethyl)benzeneacetic acid
alpha-(hydroxymethyl)phenylacetate
alpha-(hydroxymethyl)phenylacetic acid
alpha-Phenyl-beta-hydroxypropionate
alpha-Phenyl-beta-hydroxypropionic acid
alpha-Phenylhydracrylic acid
alpha-phenyl-beta-hydroxypropionate
alpha-phenyl-beta-hydroxypropionic acid
b-Hydroxyhydratropate
b-Hydroxyhydratropic acid
beta-Hydroxyhydratropate
beta-Hydroxyhydratropic acid
beta-hydroxyhydratropate
beta-hydroxyhydratropic acid

kegg.compound:C01456
keggC:C01456
JACRWUWPXAESPB-UHFFFAOYSA-N 		Tropate
Tropic acid
alpha-(Hydroxymethyl)phenylacetic acid

seed.compound:cpd01035
seedM:cpd01035
JACRWUWPXAESPB-UHFFFAOYSA-M 		Tropate
Tropic acid
alpha-(Hydroxymethyl)phenylacetic acid
tropate

metacyc.compound:TROPATE
metacycM:TROPATE
JACRWUWPXAESPB-UHFFFAOYSA-M 		tropate

CHEBI:30765
chebi:30765
JACRWUWPXAESPB-UHFFFAOYSA-N 		tropic acid
(+-)-tropic acid
2-phenylhydracrylic acid
3-hydroxy-2-phenylpropanoic acid
3-hydroxy-2-phenylpropionic acid
Tropic acid
alpha-(Hydroxymethyl)phenylacetic acid
alpha-(hydroxymethyl)benzeneacetic acid
alpha-phenyl-beta-hydroxypropionic acid
beta-hydroxyhydratropic acid

hmdb:HMDB62590
chebi:15268
chebi:27156
chebi:27157
chebi:9756
keggC:M_C01456
seedM:M_cpd01035 		secondary/obsolete/fantasy identifier