EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H30O14 |
| Net Charge | 0 |
| Average Mass | 614.556 |
| Monoisotopic Mass | 614.16356 |
| SMILES | O=C1CC(c2ccc(O)c(O)c2)c2c(OC3OC(CO)C(O)C(O)C3O)cc3c(c2O1)CC(O)C(c1ccc(O)c(O)c1)O3 |
| InChI | InChI=1S/C30H30O14/c31-10-22-25(38)26(39)27(40)30(43-22)42-21-9-20-14(7-19(36)28(41-20)12-2-4-16(33)18(35)6-12)29-24(21)13(8-23(37)44-29)11-1-3-15(32)17(34)5-11/h1-6,9,13,19,22,25-28,30-36,38-40H,7-8,10H2 |
| InChIKey | VQTJQDXXZTXQEJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cinchonain Id 7-glucoside (CHEBI:140763) is a flavonoids (CHEBI:72544) |
| Cinchonain Id 7-glucoside (CHEBI:140763) is a glycoside (CHEBI:24400) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035435 | HMDB |