EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:199622 - Thielavin G
| Formula | C30H32O10 |
| Net Charge | 0 |
| Average Mass | 552.576 |
| Monoisotopic Mass | 552.19955 |
| SMILES | COc1cc(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)c(OC)c1C |
| InChI | InChI=1S/C30H32O10/c1-12-10-19(31)17(6)25(32)22(12)29(35)39-20-11-21(37-8)23(14(3)13(20)2)30(36)40-26-16(5)15(4)24(28(33)34)27(38-9)18(26)7/h10-11,31-32H,1-9H3,(H,33,34) |
| InChIKey | GMGUUHJTCVMSIG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium (ncbitaxon:5149) | - | PubMed (12546415) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thielavin G (CHEBI:199622) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-6-methoxy-2,3-dimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8545812 | ChemSpider |