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CHEBI:224121 - Thielavin S
| Formula | C25H24O8 |
| Net Charge | 0 |
| Average Mass | 452.459 |
| Monoisotopic Mass | 452.14712 |
| SMILES | Cc1cc(O)c(C)c(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)c(C)c2O)c1 |
| InChI | InChI=1S/C25H24O8/c1-11-6-17(27)14(4)19(7-11)32-25(31)22-13(3)9-20(15(5)23(22)29)33-24(30)21-12(2)8-16(26)10-18(21)28/h6-10,26-29H,1-5H3 |
| InChIKey | QUVZPCQMCZMGDL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Setophomaspecies (ncbitaxon:1868165) | - | PubMed (25586883) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thielavin S (CHEBI:224121) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| (3-hydroxy-2,5-dimethylphenyl) 4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoate |
| Manual Xrefs | Databases |
|---|---|
| 78435915 | ChemSpider |