EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H44N2O10 |
| Net Charge | 0 |
| Average Mass | 652.741 |
| Monoisotopic Mass | 652.29960 |
| SMILES | [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)C2N=C[C@]4(COC(=O)c5ccccc5N5C(=O)C[C@H](C)C5=O)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC |
| InChI | InChI=1S/C35H44N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,15,17,19-20,22-23,25-28,31,41-42H,10-14,16H2,1-5H3/t17-,19+,20+,22-,23-,25+,26-,27+,28-,31?,32-,33+,34-,35+/m0/s1 |
| InChIKey | ZXTOPWJFZABXSX-BMRUPKHXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Anhwiedelphinine (CHEBI:2726) is a pyrrolidines (CHEBI:38260) |
| Synonym | Source |
|---|---|
| Anhwiedelphinine | KEGG COMPOUND |