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2-Hydroxyhexa-2,4-dienoic acid-6-carboxymethylester

PropertiesImage
MNX_IDMNXM819785 Image of MNXM819785
referencesabiorkM:31240
formulaC8H8O7
global charge0
mol weight216.145
InChIKeySQUUNJLJJSRAOJ-MWMWYHAWSA-N
InChIInChI=1S/C8H8O7/c9-5(8(13)14)2-1-3-7(12)15-4-6(10)11/h1-3,9H,4H2,(H,10,11)(H,13,14)/b3-1+,5-2-
SMILESO=C(O)COC(=O)/C=C/C=C(\O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C8H8O7/c9-5(8(13)14)2-1-3-7(12)15-4-6(10)11/h1-3,9H,4H2,(H,10,11)(H,13,14)/b3-1+,5-2- Image of MNXM819785
SMILES (mnx)[CH:1](/[CH:2]=[C:5](/[C:8](=[O:13])[OH:14])[OH:9])=[CH:3]\[C:7](=[O:12])[O:15][CH2:4][C:6](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:31240
sabiorkM:31240
SQUUNJLJJSRAOJ-MWMWYHAWSA-N
2-Hydroxyhexa-2,4-dienoic acid-6-carboxymethylester