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CHEBI:203269 - Thielavin B methyl ester
| Formula | C32H36O10 |
| Net Charge | 0 |
| Average Mass | 580.630 |
| Monoisotopic Mass | 580.23085 |
| SMILES | COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2OC)c(C)c1OC |
| InChI | InChI=1S/C32H36O10/c1-13-12-21(33)18(6)25(34)22(13)31(36)41-26-17(5)15(3)24(29(39-10)20(26)8)32(37)42-27-16(4)14(2)23(30(35)40-11)28(38-9)19(27)7/h12,33-34H,1-11H3 |
| InChIKey | DPBQUJQSWZCLMR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thielavin B methyl ester (CHEBI:203269) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| methyl 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoate |
| Manual Xrefs | Databases |
|---|---|
| 8501357 | ChemSpider |