EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H26N2O3S |
| Net Charge | 0 |
| Average Mass | 398.528 |
| Monoisotopic Mass | 398.16641 |
| SMILES | CC=Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccc(C)cc1)[C@@H](CO)N2 |
| InChI | InChI=1S/C22H26N2O3S/c1-3-4-16-7-10-20-19(13-16)22-18(21(14-25)23-20)11-12-24(22)28(26,27)17-8-5-15(2)6-9-17/h3-10,13,18,21-23,25H,11-12,14H2,1-2H3/t18-,21+,22-/m0/s1 |
| InChIKey | OOFBFCVUWHAFML-BWAGFHJFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-38411 (CHEBI:126848) is a pyrroloquinoline (CHEBI:50918) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38411 | LINCS |