EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H26N2O6 |
| Net Charge | 0 |
| Average Mass | 402.447 |
| Monoisotopic Mass | 402.17909 |
| SMILES | O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16-,19+/m1/s1 |
| InChIKey | ZKMZGYJTUFHVCC-MDZRGWNJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:102983) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14329 | LINCS |