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CHEBI:2747 - anthemis glycoside A
| Formula | C39H49NO21 |
| Net Charge | 0 |
| Average Mass | 867.807 |
| Monoisotopic Mass | 867.27971 |
| SMILES | N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](OC(=O)/C=C/c3ccc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 |
| InChI | InChI=1S/C39H49NO21/c40-12-21(18-4-2-1-3-5-18)59-39-35(52)31(48)28(45)24(61-39)16-56-37-33(50)29(46)22(14-54-37)58-25(42)11-8-17-6-9-19(10-7-17)57-38-34(51)30(47)27(44)23(60-38)15-55-36-32(49)26(43)20(41)13-53-36/h1-11,20-24,26-39,41,43-52H,13-16H2/b11-8+/t20-,21-,22-,23-,24-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-/m1/s1 |
| InChIKey | GVPIOFYEBVTHHT-WAUBIPOJSA-N |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| anthemis glycoside A (CHEBI:2747) has functional parent trans-cinnamic acid (CHEBI:35697) |
| anthemis glycoside A (CHEBI:2747) is a O-acyl carbohydrate (CHEBI:52782) |
| anthemis glycoside A (CHEBI:2747) is a anthemis glycoside (CHEBI:50021) |
| anthemis glycoside A (CHEBI:2747) is a disaccharide derivative (CHEBI:63353) |
| anthemis glycoside A (CHEBI:2747) is a nitrile (CHEBI:18379) |
| IUPAC Name |
|---|
| (2S)-phenyl[6-O-(4-O-{(2E)-3-[4-(6-O-β-D-xylopyranosyl-β-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-β-D-xylopyranosyl)-β-D-glucopyranosyloxy]acetonitrile |
| Synonyms | Source |
|---|---|
| Anthemis glycoside A | KEGG COMPOUND |
| Epilucumin 4''-p-(beta-D-glucopyranosyloxy)-(E)-cinnamate | ChemIDplus |