EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C27H32O13 |
| Net Charge | 0 |
| Average Mass | 564.540 |
| Monoisotopic Mass | 564.18429 |
| SMILES | C[C@@H]1O[C@@H](Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C27H32O13/c1-12-25(40-27-23(35)21(33)20(32)19(11-28)39-27)22(34)24(36)26(37-12)38-18-10-15(30)7-8-16(18)17(31)9-4-13-2-5-14(29)6-3-13/h2-10,12,19-30,32-36H,11H2,1H3/b9-4+/t12-,19+,20+,21-,22-,23+,24+,25-,26-,27-/m0/s1 |
| InChIKey | PXGWOWJSMRNURR-YFAHIDEQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cannabis sativa (ncbitaxon:3483) | inflorescence (BTO:0000628) | MetaboLights (MTBLS6032) | Strain: Cannabis sativa var. DMG265 |
| 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) |
| isoliquiritigenin 2'-glucosyl-(1→4)-rhamnoside (CHEBI:197171) has functional parent isoliquiritigenin (CHEBI:310312) |
| isoliquiritigenin 2'-glucosyl-(1→4)-rhamnoside (CHEBI:197171) has role plant metabolite (CHEBI:76924) |
| isoliquiritigenin 2'-glucosyl-(1→4)-rhamnoside (CHEBI:197171) is a chalcones (CHEBI:23086) |
| isoliquiritigenin 2'-glucosyl-(1→4)-rhamnoside (CHEBI:197171) is a disaccharide derivative (CHEBI:63353) |
| isoliquiritigenin 2'-glucosyl-(1→4)-rhamnoside (CHEBI:197171) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 5-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl 6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranoside |
| Synonym | Source |
|---|---|
| 4,2',4'-trihydroxychalcone 2'-glucosyl-(1→4)-rhamnoside | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMPK12120025 | LIPID MAPS |
| 115270470 | ChemSpider |
| C00007188 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| CAS:78795-34-3 | KNApSAcK |