EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H43NO8 |
| Net Charge | 0 |
| Average Mass | 509.640 |
| Monoisotopic Mass | 509.29887 |
| SMILES | [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)C2N(CC)C[C@]4(COC(C)=O)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC |
| InChI | InChI=1S/C27H43NO8/c1-7-28-12-24(13-36-14(2)29)9-8-18(33-4)26-16-10-15-17(32-3)11-25(30,19(16)20(15)34-5)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23?,24+,25-,26+,27-/m1/s1 |
| InChIKey | STJQAAPRZLERIZ-VEUWJJFUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tricornine (CHEBI:9696) is a diterpenoid (CHEBI:23849) |
| Synonym | Source |
|---|---|
| Tricornine | KEGG COMPOUND |