EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:209833 - Frenolicin G
| Formula | C36H38O14S |
| Net Charge | 0 |
| Average Mass | 726.753 |
| Monoisotopic Mass | 726.19823 |
| SMILES | CCC[C@@H]1O[C@@H](CC(=O)O)CC2(SC34C[C@@H](CC(=O)O)O[C@H](CCC)[C@]3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)[C@]12O |
| InChI | InChI=1S/C36H38O14S/c1-3-7-23-35(47)31(45)27-19(9-5-11-21(27)37)29(43)33(35,15-17(49-23)13-25(39)40)51-34-16-18(14-26(41)42)50-24(8-4-2)36(34,48)32(46)28-20(30(34)44)10-6-12-22(28)38/h5-6,9-12,17-18,23-24,37-38,47-48H,3-4,7-8,13-16H2,1-2H3,(H,39,40)(H,41,42)/t17-,18+,23-,24+,33?,34?,35+,36- |
| InChIKey | WVDAASDTJLZZAH-UNSFVVMRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies RM-4-15 (ncbitaxon:1337050) | - | PubMed (23944931) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Frenolicin G (CHEBI:209833) is a benzochromenone (CHEBI:64986) |
| Frenolicin G (CHEBI:209833) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 2-[(1S,3S,10aR)-4a-[[(1R,3R,10aS)-3-(carboxymethyl)-9,10a-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulanyl]-9,10a-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid |
| Manual Xrefs | Databases |
|---|---|
| 58826662 | ChemSpider |