EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H30O14 |
| Net Charge | 0 |
| Average Mass | 578.523 |
| Monoisotopic Mass | 578.16356 |
| SMILES | CC1OC(Oc2ccc(-c3cc(=O)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)cc4o3)cc2)C(O)C(O)C1O |
| InChI | InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(37-10)38-12-4-2-11(3-5-12)16-8-15(30)19-14(29)6-13(7-17(19)40-16)39-27-25(36)23(34)21(32)18(9-28)41-27/h2-8,10,18,20-29,31-36H,9H2,1H3 |
| InChIKey | JWESWEUFMKPWPH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 6-deoxyhexopyranoside (CHEBI:139408) is a flavonoids (CHEBI:72544) |
| 4-[7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 6-deoxyhexopyranoside (CHEBI:139408) is a glycoside (CHEBI:24400) |
| Manual Xrefs | Databases |
|---|---|
| 22370085 | ChemSpider |