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CHEBI:201238 - Prenylcyclotryprostatin B
| Formula | C28H35N3O5 |
| Net Charge | 0 |
| Average Mass | 493.604 |
| Monoisotopic Mass | 493.25767 |
| SMILES | COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3OC |
| InChI | InChI=1S/C28H35N3O5/c1-16(2)11-13-29-21-15-18(35-5)9-10-19(21)23-24(29)22(14-17(3)4)31-26(32)20-8-7-12-30(20)27(33)28(31,34)25(23)36-6/h9-11,14-15,20,22,25,34H,7-8,12-13H2,1-6H3/t20-,22-,25-,28-/m0/s1 |
| InChIKey | ZWMOSRAJNUGNFO-RZVQSFSYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (22344914) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Prenylcyclotryprostatin B (CHEBI:201238) is a β-carbolines (CHEBI:60834) |
| IUPAC Name |
|---|
| (1S,2S,12S,15S)-1-hydroxy-2,7-dimethoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione |
| Manual Xrefs | Databases |
|---|---|
| 28289658 | ChemSpider |