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CHEBI:226189 - Pseudogymnoascin A
| Formula | C22H23NO12 |
| Net Charge | 0 |
| Average Mass | 493.421 |
| Monoisotopic Mass | 493.12203 |
| SMILES | COC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)OC[C@H](C)C(=O)OC)c(OC)cc(O)c1[N+](=O)[O-] |
| InChI | InChI=1S/C22H23NO12/c1-10-6-12(24)16(22(28)34-9-11(2)20(26)32-4)14(7-10)35-19-15(31-3)8-13(25)18(23(29)30)17(19)21(27)33-5/h6-8,11,24-25H,9H2,1-5H3/t11-/m0/s1 |
| InChIKey | KSPCJAHPTUZLJQ-NSHDSACASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudogymnoascusspecies (ncbitaxon:1891168) | - | PubMed (25732560) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pseudogymnoascin A (CHEBI:226189) is a aromatic ether (CHEBI:35618) |
| IUPAC Name |
|---|
| methyl 5-hydroxy-2-[3-hydroxy-2-(3-methoxy-2-methyl-3-oxopropoxy)carbonyl-5-methylphenoxy]-3-methoxy-6-nitrobenzoate |
| Manual Xrefs | Databases |
|---|---|
| 35516926 | ChemSpider |