(Q27146369)

7-Deoxyloganate (English)

8 October 2016

chemical formula

C₁₆H₂₃O₉⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC2C1C(OC=C2C(=O)[O-])OC3C(C(C(C(O3)CO)O)O)O

1 reference

7-Deoxyloganate (English)

8 October 2016

isomeric SMILES

C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

1 reference

7-Deoxyloganate (English)

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

8 October 2016

Identifiers

InChI

1 reference

7-Deoxyloganate (English)

DSXFHNSGLYXPNG-YDYVGBNJSA-M

8 October 2016

InChIKey

2 references

7-Deoxyloganate (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S,4aS,7S,7aR)-1-(beta-D-Glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate (English)

8 October 2016

2 references

7-Deoxyloganate (English)

matched by identifier from

8 October 2016

InChIKey

DSXFHNSGLYXPNG-YDYVGBNJSA-M

ChEBI ID

76844

mapping relation type

2 references

7-deoxyloganate (English)