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loganate

Properties

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Occurences in reactions

MNX_ID

MNXM2252

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	0

formula

C₁₆H₂₃O₁₀

charge

-1

mass

375.12967

reference

chebi:18052

InChIKey

JNNGEAWILNVFFD-CDJYTOATSA-M

InChI

InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/p-1/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1

SMILES

C[C@H]1[C@@H](O)C[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18052 chebi:18052	loganate (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
kegg.compound:C01512 keggC:C01512	Loganate Loganic acid
seed.compound:cpd01069 seedM:cpd01069	Loganate Loganic acid loganate loganic acid
lipidmaps:LMPR01020138 lipidmapsM:LMPR01020138	Loganic acid (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-cyclopenta[c]pyran-4-carboxylic acid
metacyc.compound:LOGANATE metacycM:LOGANATE	loganate loganic acid
CHEBI:30632 chebi:30632	loganic acid (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid Loganic acid
chebi:14524 chebi:25067 chebi:25068 chebi:6512 keggC:M_C01512 seedM:M_cpd01069	secondary/obsolete/fantasy identifier