EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H18O7 |
| Net Charge | 0 |
| Average Mass | 322.313 |
| Monoisotopic Mass | 322.10525 |
| SMILES | C[C@@H]1O[C@H]2CC(=O)O[C@@]3(C2)[C@H](O)c2cccc(O)c2[C@H](O)[C@@]13O |
| InChI | InChI=1S/C16H18O7/c1-7-16(21)14(20)12-9(3-2-4-10(12)17)13(19)15(16)6-8(22-7)5-11(18)23-15/h2-4,7-8,13-14,17,19-21H,5-6H2,1H3/t7-,8-,13+,14-,15-,16-/m0/s1 |
| InChIKey | YAYLZJMYAWCSFK-MAHXAKIKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies (ncbitaxon:1931) | - | PubMed (10217720) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Luisol A (CHEBI:211691) is a organic heterotricyclic compound (CHEBI:26979) |
| Luisol A (CHEBI:211691) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (1S,2R,9S,10R,11S,13R)-2,7,9,10-tetrahydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.01,10.03,8]heptadeca-3(8),4,6-trien-15-one |
| Manual Xrefs | Databases |
|---|---|
| 8957375 | ChemSpider |