EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H40O9 |
| Net Charge | 0 |
| Average Mass | 568.663 |
| Monoisotopic Mass | 568.26723 |
| SMILES | CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)CC(=C(C)CC(=O)CC(C)C(=O)O)[C@@]12C |
| InChI | InChI=1S/C32H40O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h16,21,27H,9-14H2,1-8H3,(H,39,40)/t16?,21-,27+,30-,31-,32-/m0/s1 |
| InChIKey | FNVFWDUJQFPKMO-WBTPOYDOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma lucidum (ncbitaxon:5315) | - | PubMed (26222905) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ganodernoid D (CHEBI:210647) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 6-[(5R,10S,12S,13R,14R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12-tetrahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-2-methyl-4-oxoheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78441307 | ChemSpider |