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CHEBI:212063 - Thielavin A
| Formula | C29H30O10 |
| Net Charge | 0 |
| Average Mass | 538.549 |
| Monoisotopic Mass | 538.18390 |
| SMILES | Cc1cc(O)c(C)c(O)c1C(=O)Oc1c(C)c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)O)c(O)c2C)c(O)c1C |
| InChI | InChI=1S/C29H30O10/c1-10-9-18(30)15(6)22(31)19(10)28(36)38-26-14(5)12(3)21(24(33)17(26)8)29(37)39-25-13(4)11(2)20(27(34)35)23(32)16(25)7/h9,30-33H,1-8H3,(H,34,35) |
| InChIKey | MGGMNKJGDSNTKZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Thielavia (ncbitaxon:35719) | - | PubMed (7333968) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thielavin A (CHEBI:212063) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 168701 | ChemSpider |