EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:211268 - Maculalactone D
| Formula | C34H30O3 |
| Net Charge | 0 |
| Average Mass | 486.611 |
| Monoisotopic Mass | 486.21949 |
| SMILES | O=C1O[C@@]2(Cc3ccccc3)C(=C1Cc1ccccc1)[C@@H](c1ccccc1)[C@@H](O)C[C@@H]2c1ccccc1 |
| InChI | InChI=1S/C34H30O3/c35-30-22-29(26-17-9-3-10-18-26)34(23-25-15-7-2-8-16-25)32(31(30)27-19-11-4-12-20-27)28(33(36)37-34)21-24-13-5-1-6-14-24/h1-20,29-31,35H,21-23H2/t29-,30+,31+,34-/m1/s1 |
| InChIKey | VUFRSSRORSULJP-MNHGUUTPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Kyrtuthrix (ncbitaxon:1906669) | - | PubMed (9548830) |
| 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) |
| Maculalactone D (CHEBI:211268) is a diarylheptanoid (CHEBI:78802) |
| IUPAC Name |
|---|
| (4R,5S,7R,7aR)-3,7a-dibenzyl-5-hydroxy-4,7-diphenyl-4,5,6,7-tetrahydro-1-benzouran-2-one |
| Manual Xrefs | Databases |
|---|---|
| 8942593 | ChemSpider |