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CHEBI:191812 - Neoliquiritin
| Formula | C21H22O9 |
| Net Charge | 0 |
| Average Mass | 418.398 |
| Monoisotopic Mass | 418.12638 |
| SMILES | O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc21 |
| InChI | InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1 |
| InChIKey | HJBUYKZTEBZNSH-ZRWXNEIDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) | ||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Neoliquiritin (CHEBI:191812) is a flavonoids (CHEBI:72544) |
| Neoliquiritin (CHEBI:191812) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| (2S)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |