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Puberulic acid

PropertiesImage
MNX_IDMNXM168940 Image of MNXM168940
referencechebi:205771
formulaC9H4O7
global charge0
mol weight224.124
InChIKeyJAJRKOVXTSKCLS-UHFFFAOYSA-N
InChIInChI=1S/C9H4O7/c10-3-1-2-4(9(15)16-8(2)14)6(12)7(13)5(3)11/h1H,(H3,10,11,12,13)
SMILESO=C1C=C2C(=O)OC(=O)C2=C(O)C(O)=C1O
MNX internals
InChI (mnx)InChI=1/C9H4O7/c10-3-1-2-4(9(15)16-8(2)14)6(12)7(13)5(3)11/h1H,(H3,10,11,12,13) Image of MNXM168940
SMILES (mnx)[CH:1]1=[C:2]2[C:4](=[C:6]([OH:12])[C:7](=[O:13])[C:5]([OH:11])=[C:3]1[OH:10])[C:9](=[O:15])[O:16][C:8]2=[O:14]
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

CHEBI:205771
chebi:205771
JAJRKOVXTSKCLS-UHFFFAOYSA-N 		Puberulic acid
4,5,6-trihydroxycyclohepta[c]uran-1,3,7-trione

seed.compound:cpd34626
seedM:cpd34626
JAJRKOVXTSKCLS-UHFFFAOYSA-L 		4,5,6-trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylate
4,6,7-trihydroxy-1H-cyclohepta[c]furan-1,3,5-trione
puberulonate
puberulonic acid

metacyc.compound:CPD-18155
metacycM:CPD-18155
JAJRKOVXTSKCLS-UHFFFAOYSA-N 		puberulonate
4,5,6-trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylate
4,6,7-trihydroxy-1H-cyclohepta[c]furan-1,3,5-trione
puberulonic acid

seedM:M_cpd34626 		secondary/obsolete/fantasy identifier