EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C43H69NO14 |
| Net Charge | 0 |
| Average Mass | 824.018 |
| Monoisotopic Mass | 823.47181 |
| SMILES | CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OCC(OC8OCC(OC9OC(CO)C(O)C(O)C9O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC43C)N2C1 |
| InChI | InChI=1S/C43H69NO14/c1-19-5-8-26-20(2)31-27(44(26)15-19)14-25-23-7-6-21-13-22(9-11-42(21,3)24(23)10-12-43(25,31)4)55-39-36(50)33(47)29(17-53-39)57-40-37(51)34(48)30(18-54-40)58-41-38(52)35(49)32(46)28(16-45)56-41/h6,19-20,22-41,45-52H,5,7-18H2,1-4H3 |
| InChIKey | WNUZFFNCQHQMDD-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| solacauline (CHEBI:229945) is a steroid saponin (CHEBI:61655) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0029373 | HMDB |
| FDB000443 | FooDB |
| Citations |
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