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CHEBI:168209 - Gein
| Formula | C21H30O11 |
| Net Charge | 0 |
| Average Mass | 458.460 |
| Monoisotopic Mass | 458.17881 |
| SMILES | C=CCc1ccc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c(OC)c1 |
| InChI | InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3 |
| InChIKey | FSCNUJMKSQHQSY-UHFFFAOYSA-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) |
| Gein (CHEBI:168209) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 2-(2-methoxy-4-prop-2-enylphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0029909 | HMDB |