EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C50H38O10 |
| Net Charge | 0 |
| Average Mass | 798.844 |
| Monoisotopic Mass | 798.24650 |
| SMILES | O=C1C(Cc2ccc(O)cc2)=C(Cc2ccc(O)cc2)C(=O)C1(c1ccc(O)cc1)C1(c2ccc(O)cc2)C(=O)C(Cc2ccc(O)cc2)=C(Cc2ccc(O)cc2)C1=O |
| InChI | InChI=1S/C50H38O10/c51-35-13-1-29(2-14-35)25-41-42(26-30-3-15-36(52)16-4-30)46(58)49(45(41)57,33-9-21-39(55)22-10-33)50(34-11-23-40(56)24-12-34)47(59)43(27-31-5-17-37(53)18-6-31)44(48(50)60)28-32-7-19-38(54)20-8-32/h1-24,51-56H,25-28H2 |
| InChIKey | BIRIZXULSMAMOU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nostocspecies (ncbitaxon:1180) | - | PubMed (20233015) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Nostotrebin 6 (CHEBI:208348) is a diarylheptanoid (CHEBI:78802) |
| IUPAC Name |
|---|
| 2-(4-hydroxyphenyl)-2-[1-(4-hydroxyphenyl)-3,4-bis[(4-hydroxyphenyl)methyl]-2,5-dioxocyclopent-3-en-1-yl]-4,5-bis[(4-hydroxyphenyl)methyl]cyclopent-4-ene-1,3-dione |
| Manual Xrefs | Databases |
|---|---|
| 78435989 | ChemSpider |