EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H35NO11S |
| Net Charge | 0 |
| Average Mass | 617.673 |
| Monoisotopic Mass | 617.19308 |
| SMILES | Cc1c(C)c2c(c(C)c1OC1OC(C(=O)O)C(O)C(O)C1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 |
| InChI | InChI=1S/C30H35NO11S/c1-13-14(2)24-18(15(3)23(13)40-28-22(34)20(32)21(33)25(41-28)27(36)37)9-10-30(4,42-24)12-39-17-7-5-16(6-8-17)11-19-26(35)31-29(38)43-19/h5-8,19-22,25,28,32-34H,9-12H2,1-4H3,(H,36,37)(H,31,35,38) |
| InChIKey | NUTWTXPQUHCSIQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143510) is a aromatic ether (CHEBI:35618) |
| 6-[[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143510) is a thiazolidinone (CHEBI:48891) |