EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H31N3O3 |
| Net Charge | 0 |
| Average Mass | 481.596 |
| Monoisotopic Mass | 481.23654 |
| SMILES | CN1[C@@H]2Cn3c(ccc(C=Cc4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NC1Cc3ccccc3C1)[C@@H]2CO |
| InChI | InChI=1S/C30H31N3O3/c1-32-26-17-33-25(14-13-20(30(33)36)12-11-19-7-3-2-4-8-19)28(32)27(24(26)18-34)29(35)31-23-15-21-9-5-6-10-22(21)16-23/h2-14,23-24,26-28,34H,15-18H2,1H3,(H,31,35)/t24-,26-,27+,28+/m1/s1 |
| InChIKey | LNRZCHBKBRYYMV-OIIADRAWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-9123 (CHEBI:97744) is a indanes (CHEBI:46940) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9123 | LINCS |