EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H41N3O4 |
| Net Charge | 0 |
| Average Mass | 543.708 |
| Monoisotopic Mass | 543.30971 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCCN3C)OCc2ccccc2-c2ccccc2C1=O |
| InChI | InChI=1S/C33H41N3O4/c1-23-18-36(24(2)21-37)33(38)29-12-8-7-11-28(29)27-10-6-5-9-26(27)22-40-32(23)20-34(3)19-25-13-14-30-31(17-25)39-16-15-35(30)4/h5-14,17,23-24,32,37H,15-16,18-22H2,1-4H3/t23-,24+,32-/m0/s1 |
| InChIKey | LYDBHCHWWOEKQE-XNSHOJTPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-33656 (CHEBI:122213) is a benzoxazine (CHEBI:46969) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33656 | LINCS |