EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H23N3O4S |
| Net Charge | 0 |
| Average Mass | 437.521 |
| Monoisotopic Mass | 437.14093 |
| SMILES | COc1ccccc1N=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1CC1CCCO1 |
| InChI | InChI=1S/C23H23N3O4S/c1-28-20-7-3-2-6-17(20)25-23-26(12-16-5-4-10-29-16)19(14-31-23)15-8-9-21-18(11-15)24-22(27)13-30-21/h2-3,6-9,11,14,16H,4-5,10,12-13H2,1H3,(H,24,27) |
| InChIKey | XTOAWMVAZOOIGP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[2-(2-methoxyphenyl)imino-3-(2-oxolanylmethyl)-4-thiazolyl]-4H-1,4-benzoxazin-3-one (CHEBI:108077) is a benzoxazine (CHEBI:46969) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19454 | LINCS |