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1-deoxy-11-oxopentalenate

Properties

Image

Occurences in reactions

MNX_ID

MNXM7994

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₅H₁₉O₃

charge

-1

mass

247.13397

reference

InChIKey

QNHNMKVZFMGGJB-LIEMUPCESA-M

InChI

InChI=1S/C15H20O3/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9-,11+,15-/m1/s1

SMILES

C[C@@H]1C(=O)C[C@H]2C(C(=O)[O-])=C[C@@H]3CC(C)(C)C[C@]312

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70780 chebi:70780	1-deoxy-11-oxopentalenate (1S,3aR,5aS,8aR)-1,7,7-trimethyl-2-oxo-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate 1-deoxy-11-ketopentalenate
seed.compound:cpd31083 seedM:cpd31083 kegg.compound:C20400 keggC:C20400	1-Deoxy-11-oxopentalenate
metacyc.compound:CPD-13625 metacycM:CPD-13625 seed.compound:cpd23969 seedM:cpd23969	1-deoxy-11-oxopentalenate (1S,3aR,5aS)-1,7,7-trimethyl-2-oxo-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate 1-deoxy-11-oxopentalenoic acid
CHEBI:70797 chebi:70797	1-deoxy-11-oxopentalenic acid (1S,3aR,5aS,8aR)-1,7,7-trimethyl-2-oxo-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid 1-deoxy-11-ketopentalenic acid
lipidmaps:LMPR0103890003 lipidmapsM:LMPR0103890003	1-deoxy-11-oxopentalenic acid 1-deoxy-11-oxopentalenic acid
keggC:M_C20400 seedM:M_cpd23969 seedM:M_cpd31083	secondary/obsolete/fantasy identifier