substances: 589
This data as json
| inchi_id | inchi | inchikey |
|---|---|---|
| 589 | InChI=1S/C7H12O3.C5H8O2.C4H6O2/c1-6(2)7(8)10-5-4-9-3;1-4(2)5(6)7-3;1-3(2)4(5)6/h1,4-5H2,2-3H3;1H2,2-3H3;1H2,2H3,(H,5,6) | SQHBBKHDORHLKZ-UHFFFAOYSA-N |
This data as json
| inchi_id | inchi | inchikey |
|---|---|---|
| 589 | InChI=1S/C7H12O3.C5H8O2.C4H6O2/c1-6(2)7(8)10-5-4-9-3;1-4(2)5(6)7-3;1-3(2)4(5)6/h1,4-5H2,2-3H3;1H2,2-3H3;1H2,2H3,(H,5,6) | SQHBBKHDORHLKZ-UHFFFAOYSA-N |