substances: 46477
This data as json
| inchi_id | inchi | inchikey |
|---|---|---|
| 46477 | InChI=1S/C7H12O2.C5H6O4.C5H8O2.C3H5NO.C3H3N/c1-3-5-6-9-7(8)4-2;1-3(5(8)9)2-4(6)7;1-3-5(6)7-4-2;1-2-3(4)5;1-2-3-4/h4H,2-3,5-6H2,1H3;1-2H2,(H,6,7)(H,8,9);3H,1,4H2,2H3;2H,1H2,(H2,4,5);2H,1H2 | XSYKKQSDNJJPOV-UHFFFAOYSA-N |