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CHEBI:218474 - 26-hydroxyverruculogen
| Formula | C27H33N3O8 |
| Net Charge | 0 |
| Average Mass | 527.574 |
| Monoisotopic Mass | 527.22677 |
| SMILES | COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)[C@@H](O)[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O |
| InChI | InChI=1S/C27H33N3O8/c1-13(2)11-18-29-17-12-14(36-5)8-9-15(17)19-20(29)21(23(32)26(3,4)38-37-18)30-24(33)16-7-6-10-28(16)25(34)27(30,35)22(19)31/h8-9,11-12,16,18,21-23,31-32,35H,6-7,10H2,1-5H3/t16-,18+,21+,22-,23-,27+/m0/s1 |
| InChIKey | DIIPCTMZAPQKGG-RUBMBCCISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (24473173) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 26-hydroxyverruculogen (CHEBI:218474) is a β-carbolines (CHEBI:60834) |
| IUPAC Name |
|---|
| (9R,13S,14R,17S,23R,24S)-13,23,24-trihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione |
| Manual Xrefs | Databases |
|---|---|
| 32674759 | ChemSpider |