EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C15H21NO8 |
| Net Charge | 0 |
| Average Mass | 343.332 |
| Monoisotopic Mass | 343.12672 |
| SMILES | O=C(O)[C@H](Cc1ccc(O)cc1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C15H21NO8/c17-6-11-12(19)13(20)15(23,24-11)7-16-10(14(21)22)5-8-1-3-9(18)4-2-8/h1-4,10-13,16-20,23H,5-7H2,(H,21,22)/t10-,11+,12+,13-,15?/m0/s1 |
| InChIKey | QLJKHQIODQKMNW-VJDSNFAGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| marine plankton environmental sample (ncbitaxon:632957) | endometabolome | MetaboLights (MTBLS3038) | |
| Brassica napus (ncbitaxon:3708) | flower (BTO:0000469) | MetaboLights (MTBLS3950) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1-Deoxy-1-fructosyl)tyrosine (CHEBI:189947) is a tyrosine derivative (CHEBI:62761) |
| IUPAC Names |
|---|
| (2S)-3-(4-hydroxyphenyl)-2-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]propanoic acid |
| (2S)-3-(4-hydroxyphenyl)-2-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0037845 | HMDB |
| 35014482 | ChemSpider |
| 62903639 | ChemSpider |