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(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate

MNXM1508 is deprecated and here replaced by MNXM729371
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729371 Image of MNXM729371
referencechebi:60129
formulaC7H7O4
global charge-1
mol weight155.129
InChIKeyPUCYIVFXTPWJDD-CAHLUQPWSA-M
InChIInChI=1S/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)/p-1/t5-,7+/m0/s1
SMILESO=C([O-])[C@@]1(O)C=CC=C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)/t5-,7+/m0/s1 Image of MNXM729371
SMILES (mnx)[CH:1]1=[CH:3][C@H:5]([OH:8])[C@:7]([C:6](=[O:9])[OH:10])([OH:11])[CH:4]=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60129
chebi:60129
PUCYIVFXTPWJDD-CAHLUQPWSA-M 		(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
(1R,2S)-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate

kegg.compound:C06321
keggC:C06321
PUCYIVFXTPWJDD-CAHLUQPWSA-N 		(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
cis-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid

CHEBI:37888
chebi:37888
PUCYIVFXTPWJDD-CAHLUQPWSA-N 		(1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
(1R,2S)-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylic acid
(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
cis-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid

vmhM:dhchd1c
vmhmetabolite:dhchd1c
PUCYIVFXTPWJDD-UHFFFAOYSA-M 		1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate

seed.compound:cpd02821
seedM:cpd02821
PUCYIVFXTPWJDD-UHFFFAOYSA-M 		1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate

kegg.compound:C04634
keggC:C04634
PUCYIVFXTPWJDD-UHFFFAOYSA-N 		1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate

CHEBI:17708
chebi:17708
PUCYIVFXTPWJDD-UHFFFAOYSA-M 		1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
1,6-dihydroxycyclohexa-2,4-dienecarboxylate

CHEBI:36104
chebi:36104
PUCYIVFXTPWJDD-UHFFFAOYSA-N 		1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid

metacyc.compound:CPD-290
metacycM:CPD-290
PUCYIVFXTPWJDD-CAHLUQPWSA-M 		3,5-cyclohexadiene-1,2-diol-1-carboxylate
(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
1,2-cis-dihydroxybenzoate
1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate
1,6-cis-dihydroxybenzoate
1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
cis-1,2-dihydroxybenzoate
cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate
cis-1,6-dihydroxybenzoate
cis-1,6-dihydroxycyclohexa-3,5-diene-1-carboxylate

seed.compound:cpd03762
seedM:cpd03762
PUCYIVFXTPWJDD-CAHLUQPWSA-M 		cis-1,2-dihydroxybenzoate
(1R,6S)-1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate
(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
1,2-cis-dihydroxybenzoate
1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate
1,6-Dihydroxy-cis-2,4-cyclohexadiene-1-carboxylic acid
1,6-cis-dihydroxybenzoate
1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
3,5-cyclohexadiene-1,2-diol-1-carboxylate
3,5-cyclohexadiene-l,2-diol-1-carboxylate
bencisdiol
cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate
cis-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid
cis-1,6-dihydroxybenzoate
cis-1,6-dihydroxycyclohexa-3,5-diene-1-carboxylate

vmhM:bz12diol
vmhmetabolite:bz12diol
PUCYIVFXTPWJDD-CAHLUQPWSA-M 		cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate
VMH API:automatic:01-Jul-2022 12:21:55

envipath:...7915a2ac7dd2
envipathM:...7915a2ac7dd2
PUCYIVFXTPWJDD-CAHLUQPWSA-M 		cis-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid

chebi:11182
chebi:18952
chebi:555
keggC:M_C04634
keggC:M_C06321
seedM:M_cpd02821
seedM:M_cpd03762
vmhM:M_bz12diol
vmhM:M_dhchd1c 		secondary/obsolete/fantasy identifier