EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:212575 - Thielavin Z3
| Formula | C28H28O10 |
| Net Charge | 0 |
| Average Mass | 524.522 |
| Monoisotopic Mass | 524.16825 |
| SMILES | Cc1cc(O)c(C)c(O)c1C(=O)Oc1c(C)c(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C |
| InChI | InChI=1S/C28H28O10/c1-10-8-17(29)14(5)22(30)20(10)27(35)38-25-13(4)12(3)21(24(32)16(25)7)28(36)37-18-9-11(2)19(26(33)34)23(31)15(18)6/h8-9,29-32H,1-7H3,(H,33,34) |
| InChIKey | ZLWJIVVSEFHNPM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Thielavia (ncbitaxon:35719) | - | PubMed (28468259) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thielavin Z3 (CHEBI:212575) 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-3,6-dimethylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 61708667 | ChemSpider |