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stipitatonate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4109

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₉H₃O₆

charge

-1

mass

206.99351

reference

InChIKey

IECSWTFJOUGQFO-UHFFFAOYSA-M

InChI

InChI=1S/C9H4O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,12H,(H,10,11)/p-1

SMILES

O=C1OC(=O)c2c([O-])cc(=O)c(O)cc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57775 chebi:57775	stipitatonate 7-hydroxy-1,3,6-trioxo-1H,3H,6H-cyclohepta[c]furan-4-olate 7-hydroxy-1,3,6-trioxo-3,6-dihydro-1H-cyclohepta[c]furan-4-olate stipitaton-4-olate
kegg.compound:C02080 keggC:C02080	Stipitatonate
seed.compound:cpd01411 seedM:cpd01411	Stipitatonate stipitatonate
metacyc.compound:CPD-45 metacycM:CPD-45	stipitatonate
CHEBI:16445 chebi:16445	stipitatonic acid 3,6-dihydroxy-5-oxo-1,3,6-cycloheptatriene-1,2-dicarboxylic anhydride 3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1,2-dicarboxylic anhydride 4,7-dihydroxy-1H-cyclohepta[c]furan-1,3,6-trione Stipitatonate
chebi:15117 chebi:26778 chebi:9273 keggC:M_C02080 seedM:M_cpd01411	secondary/obsolete/fantasy identifier