EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18O9 |
| Net Charge | 0 |
| Average Mass | 378.333 |
| Monoisotopic Mass | 378.09508 |
| SMILES | Cc1c(O)c(O)c(O)c2c1CO[C@H]2[C@H]1OC(O)c2c(C)c(O)c(O)c(O)c21 |
| InChI | InChI=1S/C18H18O9/c1-4-6-3-26-16(8(6)12(21)14(23)10(4)19)17-9-7(18(25)27-17)5(2)11(20)15(24)13(9)22/h16-25H,3H2,1-2H3/t16-,17+,18?/m1/s1 |
| InChIKey | VJXHTAZAWHMKML-DVKDBIPTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus flavipes (ncbitaxon:41900) | - | PubMed (22329646) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Flavimycin A (CHEBI:213792) is a 2-benzofurans (CHEBI:38831) |
| IUPAC Name |
|---|
| (3S)-7-methyl-3-[(1R)-5,6,7-trihydroxy-4-methyl-1,3-dihydro-2-benzouran-1-yl]-1,3-dihydro-2-benzouran-1,4,5,6-tetrol |
| Manual Xrefs | Databases |
|---|---|
| 28289686 | ChemSpider |