EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H25NO13 |
| Net Charge | 0 |
| Average Mass | 463.392 |
| Monoisotopic Mass | 463.13259 |
| SMILES | [H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(Oc3c([H])c([H])c([N+](=O)[O-])c([H])c3[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| InChI | InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17+,18-/m1/s1 |
| InChIKey | IAYJZWFYUSNIPN-LTHBGAKLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE (CHEBI:44486) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE | PDBeChem |
| 4-nitrophenyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| NPJ | PDBeChem |