EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H42O12 |
| Net Charge | 0 |
| Average Mass | 534.599 |
| Monoisotopic Mass | 534.26763 |
| SMILES | CC1=C(/C=C/C(C)O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1 |
| InChI | InChI=1S/C25H42O12/c1-11-7-13(8-25(3,4)14(11)6-5-12(2)27)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-6,12-13,15-24,26-33H,7-10H2,1-4H3/b6-5+ |
| InChIKey | JZJSTNWTRLNQSL-AATRIKPKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hydroxy-β-ionol 3-[glucosyl-(1→6)-glucoside] (CHEBI:138797) is a terpene glycoside (CHEBI:61777) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0037527 | HMDB |