EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H28N2O9S |
| Net Charge | 0 |
| Average Mass | 580.615 |
| Monoisotopic Mass | 580.15155 |
| SMILES | O=C(O)[C@H]1OC(C2(CCS(=O)c3ccccc3)C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C29H28N2O9S/c32-21-22(33)24(26(35)36)40-25(23(21)34)29(16-17-41(39)20-14-8-3-9-15-20)27(37)30(18-10-4-1-5-11-18)31(28(29)38)19-12-6-2-7-13-19/h1-15,21-25,32-34H,16-17H2,(H,35,36)/t21-,22-,23+,24-,25?,41?/m0/s1 |
| InChIKey | QBDBTZXGXFECOD-LYPXWVFESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4R,5R)-6-{4-[2-(benzenesulfinyl)ethyl]-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143295) is a pyrazolidines (CHEBI:38312) |