(Q27146371)

7-deoxyloganetate (English)

8 October 2016

chemical formula

C₁₀H₁₃O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC2C1C(OC=C2C(=O)[O-])O

1 reference

7-deoxyloganetate (English)

8 October 2016

isomeric SMILES

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

1 reference

7-deoxyloganetate (English)

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

8 October 2016

Identifiers

InChI

1 reference

7-deoxyloganetate (English)

DKGYTSKPMLWLEI-FIZOKRMRSA-M

8 October 2016

InChIKey

2 references

7-deoxyloganetate (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

8 October 2016

2 references

7-deoxyloganetate (English)

matched by identifier from

8 October 2016

InChIKey

DKGYTSKPMLWLEI-FIZOKRMRSA-M

ChEBI ID

76846

mapping relation type

2 references

7-deoxyloganetate (English)