EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H26O10 |
| Net Charge | 0 |
| Average Mass | 534.517 |
| Monoisotopic Mass | 534.15260 |
| SMILES | COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(CC(C)O)c(c(c1CC(C)O)c24)c65)OCO3 |
| InChI | InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3 |
| InChIKey | MXLWQNCWIIZUQT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1808 (CHEBI:91878) is a naphthalenone (CHEBI:25479) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1808 | LINCS |