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CHEBI:227802 - 13-oxofumitremorgin B
| Formula | C27H31N3O5 |
| Net Charge | 0 |
| Average Mass | 477.561 |
| Monoisotopic Mass | 477.22637 |
| SMILES | COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)C3=O |
| InChI | InChI=1S/C27H31N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,34H,6-7,11-12H2,1-5H3/t19-,21-,27+/m0/s1 |
| InChIKey | PKXCLEPXRNTYPU-BKCZMFJTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sordaria (ncbitaxon:5146) | - | DOI (10.2520/myco1975.50.93) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 13-oxofumitremorgin B (CHEBI:227802) is a β-carbolines (CHEBI:60834) |
| IUPAC Name |
|---|
| (1R,12S,15S)-1-hydroxy-7-methoxy-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-2,14,20-trione |