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CHEBI:168593 - Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer)
| Formula | C16H19NO8 |
| Net Charge | 0 |
| Average Mass | 353.327 |
| Monoisotopic Mass | 353.11107 |
| SMILES | COC(=O)C(CO)OC(O[C@H](C#N)c1ccccc1)C(O)C(=O)OC |
| InChI | InChI=1S/C16H19NO8/c1-22-14(20)12(9-18)25-16(13(19)15(21)23-2)24-11(8-17)10-6-4-3-5-7-10/h3-7,11-13,16,18-19H,9H2,1-2H3/t11-,12?,13?,16?/m1/s1 |
| InChIKey | BQIOAYLGMWMRRP-MPXNVAGNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer) (CHEBI:168593) is a L-α-D-Hepp-(1→7)-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-α-Kdo (CHEBI:78618) |
| IUPAC Name |
|---|
| methyl 3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)oxypropanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035502 | HMDB |
| 35013940 | ChemSpider |