EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C48H72O14 |
| Net Charge | 0 |
| Average Mass | 873.090 |
| Monoisotopic Mass | 872.49221 |
| SMILES | CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C(O[C@H]3C[C@H](OC)C(O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 |
| InChI | InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/t25-,26-,28-,30-,31-,33+,34-,35+,36-,37-,38-,39-,40+,41-,42?,43+,44?,45-,47+,48+/m0/s1 |
| InChIKey | RRZXIRBKKLTSOM-WXRCDTAHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-5002 (CHEBI:94346) is a macrolide (CHEBI:25106) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5002 | LINCS |