EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C16H21NO7S |
| Net Charge | 0 |
| Average Mass | 371.411 |
| Monoisotopic Mass | 371.10387 |
| SMILES | COC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(OC)cc2)[C@H](CO)O1 |
| InChI | InChI=1S/C16H21NO7S/c1-22-11-3-6-13(7-4-11)25(20,21)17-14-8-5-12(9-16(19)23-2)24-15(14)10-18/h3-8,12,14-15,17-18H,9-10H2,1-2H3/t12-,14+,15+/m1/s1 |
| InChIKey | QXJDCVBLBQBSAR-SNPRPXQTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester (CHEBI:120111) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31554 | LINCS |