EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:230023 - Adozelesin
| Formula | C30H22N4O4 |
| Net Charge | 0 |
| Average Mass | 502.530 |
| Monoisotopic Mass | 502.16411 |
| SMILES | Cc1cnc2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4n1)C3=CC2=O |
| InChI | InChI=1S/C30H22N4O4/c1-15-13-31-27-22(35)11-25-30(26(15)27)12-18(30)14-34(25)29(37)21-9-17-8-19(6-7-20(17)33-21)32-28(36)24-10-16-4-2-3-5-23(16)38-24/h2-11,13,18,31,33H,12,14H2,1H3,(H,32,36)/t18-,30+/m1/s1 |
| InChIKey | BYRVKDUQDLJUBX-JJCDCTGGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Adozelesin (CHEBI:230023) is a indolecarboxamide (CHEBI:46921) |
| IUPAC Name |
|---|
| N-[2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-1H-indol-5-yl]-1-benzouran-2-carboxamide |