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 | COc1cc(O)c2c(c1)C(=O)[C@@H]1[C@H](C[C@@H](O)[C@@](C)(O)[C@@H]1O)C2=O |
| InChI | InChI=1S/C16H18O7/c1-16(22)10(18)5-8-12(15(16)21)14(20)7-3-6(23-2)4-9(17)11(7)13(8)19/h3-4,8,10,12,15,17-18,21-22H,5H2,1-2H3/t8-,10+,12-,15+,16+/m0/s1 |
| InChIKey | WUYKSAOSAAJMEW-VFGZDCLOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stemphylium globuliferum (ncbitaxon:245170) | - | DOI (10.1002/ejoc.201500079) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Dihydroaltersolanol C (CHEBI:202304) is a hydroxyanthraquinones (CHEBI:37485) |
| IUPAC Name |
|---|
| (2R,3R,4R,4aR,9aS)-2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-2,4,4a,9a-tetrahydro-1H-anthracene-9,10-dione |
| Manual Xrefs | Databases |
|---|---|
| 78436845 | ChemSpider |