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7-deoxyloganetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM10416

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₁₀H₁₃O₄

charge

-1

mass

197.08193

reference

InChIKey

DKGYTSKPMLWLEI-FIZOKRMRSA-M

InChI

InChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/p-1/t5-,6+,8+,10+/m0/s1

SMILES

C[C@H]1CC[C@@H]2C(C(=O)[O-])=CO[C@@H](O)[C@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76846 chebi:76846	7-deoxyloganetate (1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
kegg.compound:C20789 keggC:C20789	7-Deoxyloganetate (1S,4aS,7S,7aR)-1-Hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
seed.compound:cpd25924 seedM:cpd25924	7-deoxyloganetate 7-Deoxyloganetate 7-deoxyloganetic acid
metacyc.compound:CPD-9980 metacycM:CPD-9980	7-deoxyloganetate 7-deoxyloganetic acid
CHEBI:77027 chebi:77027	7-deoxyloganetic acid (1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
keggC:M_C20789 seedM:M_cpd25924	secondary/obsolete/fantasy identifier