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CHEBI:210849 - Cottoquinazoline B
| Formula | C23H19N5O4 |
| Net Charge | 0 |
| Average Mass | 429.436 |
| Monoisotopic Mass | 429.14370 |
| SMILES | C[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H]4C(=O)N[C@@H](c5nc6ccccc6c(=O)n54)N1[C@@H]23 |
| InChI | InChI=1S/C23H19N5O4/c1-11-20(30)28-15-9-5-3-7-13(15)23(32)10-16-19(29)25-18(26(11)22(23)28)17-24-14-8-4-2-6-12(14)21(31)27(16)17/h2-9,11,16,18,22,32H,10H2,1H3,(H,25,29)/t11-,16-,18-,22+,23-/m1/s1 |
| InChIKey | MLDFAXSXLVAFNZ-SYQPYDMJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | |||
| - | PubMed (21271733) | ||
| - | PubMed (27933898) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cottoquinazoline B (CHEBI:210849) is a quinazolines (CHEBI:38530) |
| IUPAC Names |
|---|
| (1R,3R,12R,14R,27S)-12-hydroxy-3-methyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione |
| (1S,3S,12S,14S,27R)-12-hydroxy-3-methyl-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione |