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CHEBI:200982 - Thielavin J
| Formula | C29H30O10 |
| Net Charge | 0 |
| Average Mass | 538.549 |
| Monoisotopic Mass | 538.18390 |
| SMILES | COc1c(C)c(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c(C)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1C |
| InChI | InChI=1S/C29H30O10/c1-11-9-18(30)15(5)23(31)21(11)28(35)39-25-14(4)13(3)22(26(37-8)17(25)7)29(36)38-19-10-12(2)20(27(33)34)24(32)16(19)6/h9-10,30-32H,1-8H3,(H,33,34) |
| InChIKey | RLLCMRPOSFZYJJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Thielavia (ncbitaxon:35719) | - | PubMed (23809634) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thielavin J (CHEBI:200982) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,6-dimethylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 9050468 | ChemSpider |