EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N2O10 |
| Net Charge | 0 |
| Average Mass | 422.346 |
| Monoisotopic Mass | 422.09614 |
| SMILES | [H]OC(=O)C1=N[C@@]([H])([C@@](OC([H])([H])[H])(C(=O)O[H])N([H])C(=O)[C@]([H])(C(=O)O[H])c2c([H])c([H])c(O[H])c([H])c2[H])OC([H])([H])C1=C([H])[H] |
| InChI | InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16-,18-/m1/s1 |
| InChIKey | ZTOQXKUYWZBJLG-XNAIMREJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBOXYLIC ACID (CHEBI:44206) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid | PDBeChem |
| (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBOXYLIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| MX1 | PDBeChem |