EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H48O8 |
| Net Charge | 0 |
| Average Mass | 560.728 |
| Monoisotopic Mass | 560.33492 |
| SMILES | [H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@H]3OC4(CCCCCCCCCCC)O[C@@]21[C@H](C)C[C@]3(C(=C)C)O4 |
| InChI | InChI=1S/C32H48O8/c1-6-7-8-9-10-11-12-13-14-15-30-38-25-23-26-29(18-33,37-26)27(35)31(36)22(16-20(4)24(31)34)32(23,40-30)21(5)17-28(25,39-30)19(2)3/h16,21-23,25-27,33,35-36H,2,6-15,17-18H2,1,3-5H3/t21-,22-,23-,25-,26+,27-,28-,29+,30?,31-,32+/m1/s1 |
| InChIKey | SNFRINMTRPQQLE-JQWAAABSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Montanin (CHEBI:6989) is a diterpenoid (CHEBI:23849) |
| Synonym | Source |
|---|---|
| Montanin | KEGG COMPOUND |