EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H20O12 |
| Net Charge | 0 |
| Average Mass | 548.456 |
| Monoisotopic Mass | 548.09548 |
| SMILES | O=C(O)C[C@@H](O)CCC(=O)c1cccc(O)c1C(=O)c1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O |
| InChI | InChI=1S/C28H20O12/c29-11(9-19(34)35)7-8-15(30)12-3-1-5-16(31)20(12)27(38)24-22-14(10-18(33)23(24)28(39)40)25(36)13-4-2-6-17(32)21(13)26(22)37/h1-6,10-11,29,31-33H,7-9H2,(H,34,35)(H,39,40)/t11-/m0/s1 |
| InChIKey | XFESZXMDORIFAO-NSHDSACASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (11426660) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Mumbaistatin (CHEBI:203195) is a anthracenes (CHEBI:46955) |
| IUPAC Name |
|---|
| 1-[2-(5-carboxy-4-hydroxypentanoyl)-6-hydroxybenzoyl]-3,8-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 8026187 | ChemSpider |