EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:200163 - Thielavin O
| Formula | C31H34O10 |
| Net Charge | 0 |
| Average Mass | 566.603 |
| Monoisotopic Mass | 566.21520 |
| SMILES | COc1c(C)c(OC(=O)c2c(C)c(C)c(O)c(C)c2O)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)c(O)c1C |
| InChI | InChI=1S/C31H34O10/c1-11-14(4)23(32)17(7)24(33)21(11)30(37)41-27-16(6)13(3)22(28(39-10)19(27)9)31(38)40-26-15(5)12(2)20(29(35)36)25(34)18(26)8/h32-34H,1-10H3,(H,35,36) |
| InChIKey | KTMLRVZSJWYTKS-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium (ncbitaxon:5149) | - | PubMed (12546415) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Thielavin O (CHEBI:200163) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 4-[4-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-hydroxy-3,5,6-trimethylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 9278885 | ChemSpider |