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CHEBI:178050 - hastatoside
| Formula | C17H24O11 |
| Net Charge | 0 |
| Average Mass | 404.368 |
| Monoisotopic Mass | 404.13186 |
| SMILES | [H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@@]1(O)C(=O)C[C@@H]2C |
| InChI | InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/m0/s1 |
| InChIKey | PRZVXHGUJJPSME-CZMSZWGTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Verbena carolina (IPNI:30017286-2) | whole plant (BTO:0001461) | PubMed (31121915) | |
| Verbena officinalis (ncbitaxon:79772) | - | PubMed (33260609) | |
| Verbena minutiflora (IPNI:263184-2) | aerial part (BTO:0001658) | DOI (10.1111/jfpp.12687) | |
| Penstemon nitidus (ncbitaxon:388176) | - | PubMed (17226148) |
| 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. |
| Application: | hepatoprotective agent Any compound that is able to prevent damage to the liver. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hastatoside (CHEBI:178050) has role hepatoprotective agent (CHEBI:62868) |
| hastatoside (CHEBI:178050) has role plant metabolite (CHEBI:76924) |
| hastatoside (CHEBI:178050) is a cyclopentapyran (CHEBI:38606) |
| hastatoside (CHEBI:178050) is a iridoid monoterpenoid (CHEBI:50563) |
| hastatoside (CHEBI:178050) is a methyl ester (CHEBI:25248) |
| hastatoside (CHEBI:178050) is a monosaccharide derivative (CHEBI:63367) |
| hastatoside (CHEBI:178050) is a monoterpene glycoside (CHEBI:72293) |
| hastatoside (CHEBI:178050) is a α,β-unsaturated carboxylic ester (CHEBI:51737) |
| hastatoside (CHEBI:178050) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| methyl (1S,4aR,7S,7aR)-1-(β-D-glucopyranosyloxy)-4a-hydroxy-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate |
| Citations |
|---|