EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C27H28N2O3 |
| Net Charge | 0 |
| Average Mass | 428.532 |
| Monoisotopic Mass | 428.20999 |
| SMILES | OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3ccc4c(c3)OCO4)C2)N1Cc1ccccc1 |
| InChI | InChI=1S/C27H28N2O3/c30-16-23-26(22-9-5-2-6-10-22)27(29(23)15-20-7-3-1-4-8-20)17-28(18-27)14-21-11-12-24-25(13-21)32-19-31-24/h1-13,23,26,30H,14-19H2/t23-,26-/m1/s1 |
| InChIKey | LYMFIZYTKXXRHB-ZEQKJWHPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2S,3R)-6-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-(phenylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:125819) is a azetidines (CHEBI:38777) |
| [(2S,3R)-6-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-(phenylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:125819) is a benzenes (CHEBI:22712) |
| [(2S,3R)-6-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-(phenylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol (CHEBI:125819) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37387 | LINCS |