EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H46N2O3 |
| Net Charge | 0 |
| Average Mass | 506.731 |
| Monoisotopic Mass | 506.35084 |
| SMILES | [H]/C1=C(\C([H])([H])[H])C([H])([H])C([H])/C([H])=C(\[H])C(=O)[C@@]23C(=O)N([H])[C@@]([H])(C([H])([H])C4C5C([H])C([H])C([H])C([H])C5N([H])C4[H])[C@]2([H])[C@]([H])(C([H])([H])[H])[C@@]2(C([H])([H])[H])O[C@@]2([H])C3([H])/C([H])=C(\[H])C([H])([H])C1([H])C([H])([H])[H] |
| InChI | InChI=1S/C32H46N2O3/c1-19-10-5-8-15-27(35)32-24(13-9-11-20(2)16-19)29-31(4,37-29)21(3)28(32)26(34-30(32)36)17-22-18-33-25-14-7-6-12-23(22)25/h8-9,13,15-16,20-26,28-29,33H,5-7,10-12,14,17-18H2,1-4H3,(H,34,36)/b13-9+,15-8+,19-16-/t20?,21-,22?,23?,24?,25?,26-,28-,29-,31+,32+/m0/s1 |
| InChIKey | PWSKIZZFKXRQEB-HCRCFTMWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium subaffine (ncbitaxon:1036253) | - | CiteXplore (c6151) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| prochaetoglobosin IV (CHEBI:68756) has role metabolite (CHEBI:25212) |
| prochaetoglobosin IV (CHEBI:68756) is a organic molecular entity (CHEBI:50860) |
| Manual Xrefs | Databases |
|---|---|
| 8159626 | ChemSpider |
| Citations |
|---|