EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H26O6 |
| Net Charge | 0 |
| Average Mass | 350.411 |
| Monoisotopic Mass | 350.17294 |
| SMILES | [H]C1=C([H])[C@@]2([H])C3C(O[C@@]2([H])O1)C([H])C(OC([H])([H])[H])C1C(=O)C2C(OC13)C([H])C([H])C([H])C2OC([H])([H])[H] |
| InChI | InChI=1S/C19H26O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h6-7,9-16,18-19H,3-5,8H2,1-2H3/t9-,10?,11?,12?,13?,14?,15?,16?,18?,19+/m0/s1 |
| InChIKey | QDSUTWZWBSGRFU-KXHNEFKZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium arcuatum (ncbitaxon:911086) | - | CiteXplore (c6148) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| O-methyl-sterigmatocystin (CHEBI:68811) has role metabolite (CHEBI:25212) |
| O-methyl-sterigmatocystin (CHEBI:68811) is a organic molecular entity (CHEBI:50860) |
| Manual Xrefs | Databases |
|---|---|
| 94700 | ChemSpider |
| Citations |
|---|