EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:200971 - Cottoquinazoline C
| Formula | C26H25N5O4 |
| Net Charge | 0 |
| Average Mass | 471.517 |
| Monoisotopic Mass | 471.19065 |
| SMILES | CC[C@H](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/C26H25N5O4/c1-3-13(2)19-24(34)30-17-11-7-5-9-15(17)26(35)12-18-22(32)28-21(31(19)25(26)30)20-27-16-10-6-4-8-14(16)23(33)29(18)20/h4-11,13,18-19,21,25,35H,3,12H2,1-2H3,(H,28,32)/t13-,18+,19-,21+,25+,26+/m0/s1 |
| InChIKey | PZOAJKRRXRFASI-OPYINKAOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | |||
| - | PubMed (21271733) | ||
| - | PubMed (27933898) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cottoquinazoline C (CHEBI:200971) is a quinazolines (CHEBI:38530) |
| IUPAC Names |
|---|
| (1R,3S,12R,14R,27S)-3-[(2S)-butan-2-yl]-12-hydroxy-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,12S,14S,27R)-12-hydroxy-3-methylidene-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 |