EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H23N3O12 |
| Net Charge | 0 |
| Average Mass | 473.391 |
| Monoisotopic Mass | 473.12817 |
| SMILES | COC(=O)C1=C[C@@H](O)[C@H](O)[C@H](O[C@H](C(N)=O)[C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@H](O)[C@@H]2OC)O1 |
| InChI | InChI=1S/C18H23N3O12/c1-29-11-10(25)15(21-4-3-8(23)20-18(21)28)32-12(11)13(14(19)26)33-17-9(24)6(22)5-7(31-17)16(27)30-2/h3-6,9-13,15,17,22,24-25H,1-2H3,(H2,19,26)(H,20,23,28)/t6-,9+,10-,11+,12+,13+,15-,17+/m1/s1 |
| InChIKey | PURGDQCDJJEGGD-HXZZQYQQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces griseus (ncbitaxon:1911) | - | PubMed (12760682) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| A-500359 E (CHEBI:203250) is a N-glycosyl compound (CHEBI:21731) |
| IUPAC Name |
|---|
| methyl (2R,3S,4R)-2-[(1S)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78436984 | ChemSpider |