substances: 152041
This data as json
| inchi_id | inchi | inchikey |
|---|---|---|
| 152041 | InChI=1S/2C7H12O2.C5H8O3.C3H4O2/c2*1-3-4-5-6(2)7(8)9;1-2-5(7)8-4-3-6;1-2-3(4)5/h2*2-5H2,1H3,(H,8,9);2,6H,1,3-4H2;2H,1H2,(H,4,5)/p-2 | NEEOVZCCIOUXKN-UHFFFAOYSA-L |
This data as json
| inchi_id | inchi | inchikey |
|---|---|---|
| 152041 | InChI=1S/2C7H12O2.C5H8O3.C3H4O2/c2*1-3-4-5-6(2)7(8)9;1-2-5(7)8-4-3-6;1-2-3(4)5/h2*2-5H2,1H3,(H,8,9);2,6H,1,3-4H2;2H,1H2,(H,4,5)/p-2 | NEEOVZCCIOUXKN-UHFFFAOYSA-L |