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CHEBI:182966 - Cannabisin E
| Formula | C36H38N2O9 |
| Net Charge | 0 |
| Average Mass | 642.705 |
| Monoisotopic Mass | 642.25773 |
| SMILES | COc1cc([C@@H](O)[C@@H](Oc2ccc(/C=C/C(=O)NCCc3ccc(O)cc3)cc2OC)C(=O)NCCc2ccc(O)cc2)ccc1O |
| InChI | InChI=1S/C36H38N2O9/c1-45-31-22-26(9-14-29(31)41)34(43)35(36(44)38-20-18-24-5-12-28(40)13-6-24)47-30-15-7-25(21-32(30)46-2)8-16-33(42)37-19-17-23-3-10-27(39)11-4-23/h3-16,21-22,34-35,39-41,43H,17-20H2,1-2H3,(H,37,42)(H,38,44)/b16-8+/t34-,35-/m1/s1 |
| InChIKey | RMSITXIMTOOGNZ-IYFCKDFNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cannabisin E (CHEBI:182966) is a phenylpropanoid (CHEBI:26004) |
| IUPAC Name |
|---|
| (2R,3R)-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2-methoxyphenoxy]propanamide |