EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H21NO10 |
| Net Charge | 0 |
| Average Mass | 507.451 |
| Monoisotopic Mass | 507.11655 |
| SMILES | Cc1cc2c(c(=O)n1)C(=O)[C@]1(O)c3c(O)c4c(c5c3[C@@H](C[C@@H]1C2=O)OCO5)O[C@@H]1[C@H](O)C=CC[C@H]1C4=O |
| InChI | InChI=1S/C26H21NO10/c1-8-5-10-14(25(33)27-8)24(32)26(34)11(18(10)29)6-13-15-17(26)20(31)16-19(30)9-3-2-4-12(28)21(9)37-23(16)22(15)36-7-35-13/h2,4-5,9,11-13,21,28,31,34H,3,6-7H2,1H3,(H,27,33)/t9-,11+,12+,13+,21-,26+/m0/s1 |
| InChIKey | XCOPBLLEMLOWBG-ZGKYNCGBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Micromonosporaspecies (ncbitaxon:1876) | - | PubMed (29924612) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| MDN-0185 (CHEBI:210015) is a xanthones (CHEBI:51149) |
| IUPAC Name |
|---|
| (2R,11S,13R,20S,21R,25R)-2,21,28-trihydroxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),4(9),7,17,22,27-hexaene-3,5,10,26-tetrone |
| Manual Xrefs | Databases |
|---|---|
| 78439117 | ChemSpider |