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2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid

PropertiesImage
MNX_IDMNXM727527 Image of MNXM727527
referencechebi:11656
formulaC11H12O6
global charge0
mol weight240.211
InChIKeyQJYRAJSESKVEAE-UHFFFAOYSA-N
InChIInChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)
SMILESO=C(O)CCC(=O)C1=CC=CC(O)C1C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/t8?,10? Image of MNXM727527
SMILES (mnx)[CH:1]1=[CH:3][CH:8]([OH:13])[CH:10]([C:11](=[O:16])[OH:17])[C:6]([C:7]([CH2:4][CH2:5][C:9](=[O:14])[OH:15])=[O:12])=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:11656
chebi:11656
QJYRAJSESKVEAE-UHFFFAOYSA-N 		2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid

bigg.metabolite:2shchc
biggM:2shchc
vmhM:2shchc
vmhmetabolite:2shchc
QJYRAJSESKVEAE-UHFFFAOYSA-L 		2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate

biggM:M_2shchc
vmhM:M_2shchc 		secondary/obsolete/fantasy identifier