EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H33NO3 |
| Net Charge | 0 |
| Average Mass | 359.510 |
| Monoisotopic Mass | 359.24604 |
| SMILES | C=C1[C@@H](O)[C@]23C[C@@H]1[C@@H](O)C[C@H]2[C@@]12C4[C@@H]3C[C@@H]1[C@@](C)(CC[C@@H]2O)CN4CC |
| InChI | InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13-,14-,15+,16+,17-,18?,19+,20-,21-,22-/m0/s1 |
| InChIKey | AZAZKLKDEOMJBJ-BOPAMEKVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1634 (CHEBI:91754) is a kaurane diterpenoid (CHEBI:53666) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1634 | LINCS |