EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H36O6 |
| Net Charge | 0 |
| Average Mass | 468.590 |
| Monoisotopic Mass | 468.25119 |
| SMILES | C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=C[C@@]1(O)C3=CC(=O)C2=CC(=O)CC[C@@]21C |
| InChI | InChI=1S/C28H36O6/c1-15-18-8-10-27(34-28(15)22(31)16(2)23(3,4)33-28)21-14-20(30)19-13-17(29)7-9-24(19,5)26(21,32)12-11-25(18,27)6/h11-16,18,22,31-32H,7-10H2,1-6H3/t15-,16-,18+,22+,24-,25+,26+,27-,28-/m0/s1 |
| InChIKey | FIPQOHZMDJGHRY-UFRBZJLLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Agaricus blazei (ncbitaxon:79798) | - | DOI (10.1016/s0040-4039(00)00783-8) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Blazeispirol Y (CHEBI:209796) is a organic heterotricyclic compound (CHEBI:26979) |
| Blazeispirol Y (CHEBI:209796) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (1R,3'R,4'S,10S,11S,14R,15R,16S,17S)-3',11-dihydroxy-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,12-triene-17,2'-oxolane]-4,7-dione |
| Manual Xrefs | Databases |
|---|---|
| 78437403 | ChemSpider |