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2-hydroxy-3-[(1E)-3-oxoprop-1-en-1-yl]-2H-pyran-6-carboxylate

PropertiesImage
MNX_IDMNXM164131 Image of MNXM164131
referencemetacycM:CPD-18132
formulaC9H7O5
global charge-1
mol weight195.15
InChIKeyWSDRCWZBOIXKPF-OWOJBTEDSA-M
InChIInChI=1S/C9H8O5/c10-5-1-2-6-3-4-7(8(11)12)14-9(6)13/h1-5,9,13H,(H,11,12)/p-1/b2-1+
SMILESO=C/C=C/C1=CC=C(C(=O)[O-])OC1O
MNX internals
InChI (mnx)InChI=1/C9H8O5/c10-5-1-2-6-3-4-7(8(11)12)14-9(6)13/h1-5,9,13H,(H,11,12)/b2-1+/t9? Image of MNXM164131
SMILES (mnx)[CH:1](=[CH:2]/[C:6]1=[CH:3][CH:4]=[C:7]([C:8]([OH:11])=[O:12])[O:14][CH:9]1[OH:13])\[CH:5]=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18132
metacycM:CPD-18132
seed.compound:cpd35391
seedM:cpd35391
WSDRCWZBOIXKPF-OWOJBTEDSA-M
2-hydroxy-3-[(1E)-3-oxoprop-1-en-1-yl]-2H-pyran-6-carboxylate

seedM:M_cpd35391
secondary/obsolete/fantasy identifier