EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H30O17 |
| Net Charge | 0 |
| Average Mass | 626.520 |
| Monoisotopic Mass | 626.14830 |
| SMILES | O=c1cc(-c2ccc(O)c(O)c2)oc2c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(O)cc(O)c12 |
| InChI | InChI=1S/C27H30O17/c28-6-15-18(34)20(36)22(38)26(42-15)40-7-16-19(35)21(37)23(39)27(43-16)44-24-13(33)4-11(31)17-12(32)5-14(41-25(17)24)8-1-2-9(29)10(30)3-8/h1-5,15-16,18-23,26-31,33-39H,6-7H2 |
| InChIKey | AQHGCHUVXUMKOP-UHFFFAOYSA-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) |
| Hypoletin 8-gentiobioside (CHEBI:191743) is a flavonoids (CHEBI:72544) |
| Hypoletin 8-gentiobioside (CHEBI:191743) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Manual Xrefs | Databases |
|---|---|
| HMDB0038824 | HMDB |