EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H18O13 |
| Net Charge | 0 |
| Average Mass | 622.494 |
| Monoisotopic Mass | 622.07474 |
| SMILES | O=c1oc2cc(-c3c(-c4ccc(O)c(O)c4)oc4cc(/C=C/c5ccc(O)c(O)c5)oc(=O)c34)oc(=O)c2c2cc(O)c(O)cc12 |
| InChI | InChI=1S/C33H18O13/c34-18-5-2-13(7-20(18)36)1-4-15-9-24-29(33(42)43-15)28(30(44-24)14-3-6-19(35)21(37)8-14)26-12-25-27(32(41)46-26)16-10-22(38)23(39)11-17(16)31(40)45-25/h1-12,34-39H/b4-1+ |
| InChIKey | PGRXQKVGAJTEBU-DAFODLJHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phellinus igniarius (ncbitaxon:40472) | - | PubMed (17279797) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Phelligridin H (CHEBI:203445) is a isocoumarins (CHEBI:38758) |
| IUPAC Name |
|---|
| 3-[2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxouro[3,2-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione |
| Manual Xrefs | Databases |
|---|---|
| 17267228 | ChemSpider |