EMBL-EBI | Chemical Biology Resources | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H20O5 |
| Net Charge | 0 |
| Average Mass | 400.430 |
| Monoisotopic Mass | 400.13107 |
| SMILES | O[C@@H]1[C@@H](O)[C@H](Oc2ccc3ccc4cc5ccccc5c5ccc2c3c45)OC[C@H]1O |
| InChI | InChI=1S/C25H20O5/c26-19-12-29-25(24(28)23(19)27)30-20-10-7-13-5-6-15-11-14-3-1-2-4-16(14)17-8-9-18(20)21(13)22(15)17/h1-11,19,23-28H,12H2/t19-,23+,24-,25+/m1/s1 |
| InChIKey | YRNPBZPDGLFJKY-MNVNNWCQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| beta-D-xylosyl-1-hydroxybenzo[a]pyrene (CHEBI:760991) is a coumarins (CHEBI:23403) |
| beta-D-xylosyl-1-hydroxybenzo[a]pyrene (CHEBI:760991) is a monosaccharide derivative (CHEBI:63367) |
| beta-D-xylosyl-1-hydroxybenzo[a]pyrene (CHEBI:760991) is a β-D-glucoside (CHEBI:22798) |
| beta-D-xylosyl-1-hydroxybenzo[a]pyrene (CHEBI:760991) is a β-D-xyloside (CHEBI:27926) |
| UniProt Name | Source |
|---|---|
| beta-D-xylosyl-1-hydroxybenzo[a]pyrene | UniProt |
| Citations |
|---|