EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:222829 - Enduracyclinone A
| Formula | C36H30N4O12 |
| Net Charge | 0 |
| Average Mass | 710.652 |
| Monoisotopic Mass | 710.18602 |
| SMILES | COc1c(OC)c2c(=O)c3cc(C)n(C(CC4CN(C)C(N)=N4)C(=O)O)c(=O)c3c(=O)c2c2cc3c(=O)c4cc(O)cc(O)c4c(=O)c3c(OC)c12 |
| InChI | InChI=1S/C36H30N4O12/c1-12-6-16-24(34(47)40(12)19(35(48)49)7-13-11-39(2)36(37)38-13)30(46)22-15-10-18-23(29(45)21-17(27(18)43)8-14(41)9-20(21)42)31(50-3)25(15)32(51-4)33(52-5)26(22)28(16)44/h6,8-10,13,19,41-42H,7,11H2,1-5H3,(H2,37,38)(H,48,49) |
| InChIKey | NURDWWIRXSLGOB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nonomuraeaspecies (ncbitaxon:1883105) | - | PubMed (30615447) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Enduracyclinone A (CHEBI:222829) is a quinone (CHEBI:36141) |
| Enduracyclinone A (CHEBI:222829) is a tetracenes (CHEBI:51270) |
| IUPAC Name |
|---|
| 3-(2-amino-1-methyl-4,5-dihydroimidazol-4-yl)-2-(19,21-dihydroxy-12,13,15-trimethoxy-7-methyl-3,5,10,17,24-pentaoxo-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(26),2(11),4(9),7,12,14,16(25),18(23),19,21-decaen-6-yl)propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 128731563 | ChemSpider |