EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H44O6 |
| Net Charge | 0 |
| Average Mass | 500.676 |
| Monoisotopic Mass | 500.31379 |
| SMILES | CC1=C[C@H](O)[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)C[C@@]2(O)CCC(=O)OC(C)(C)[C@@H]2CC4)OC1=O |
| InChI | InChI=1S/C30H44O6/c1-17-15-22(31)25(35-26(17)33)18(2)20-10-13-29(6)21-7-8-23-27(3,4)36-24(32)11-14-30(23,34)16-19(21)9-12-28(20,29)5/h15,18,20,22-23,25,31,34H,7-14,16H2,1-6H3/t18-,20+,22-,23-,25+,28+,29-,30-/m0/s1 |
| InChIKey | MXLIWKRPRVUGEE-FFCXXPGKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma (ncbitaxon:5314) | - | PubMed (24992637) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ganodermalactone C (CHEBI:203636) is a lactone (CHEBI:25000) |
| IUPAC Name |
|---|
| (3S,9R,13R,16R,17R)-3-hydroxy-16-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadec-1(12)-en-6-one |
| Manual Xrefs | Databases |
|---|---|
| 78437036 | ChemSpider |