Feedback

7-deoxyloganate

Properties

Image

Occurences in reactions

MNX_ID

MNXM5578

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

formula

C₁₆H₂₃O₉

charge

-1

mass

359.13476

reference

chebi:76844

InChIKey

DSXFHNSGLYXPNG-YDYVGBNJSA-M

InChI

InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/p-1/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1

SMILES

C[C@H]1CC[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]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76844 chebi:76844	7-deoxyloganate (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
kegg.compound:C11636 keggC:C11636	7-Deoxyloganate
seed.compound:cpd08447 seedM:cpd08447	7-Deoxyloganate 7-deoxyloganate 7-deoxyloganic acid
metacyc.compound:CPD-9981 metacycM:CPD-9981	7-deoxyloganate 7-deoxyloganic acid
CHEBI:2260 chebi:2260	7-deoxyloganic acid (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid bis-desoxydihydromonotropein
keggC:M_C11636 seedM:M_cpd08447	secondary/obsolete/fantasy identifier