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CHEBI:204103 - Roridin J
| Formula | C29H36O9 |
| Net Charge | 0 |
| Average Mass | 528.598 |
| Monoisotopic Mass | 528.23593 |
| SMILES | CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C5OC(OC5C)C(O)/C(C)=C\C(=O)OC[C@@]2(CC1)[C@]4(C)C31CO1 |
| InChI | InChI=1S/C29H36O9/c1-16-9-10-28-14-33-24(31)12-17(2)25(32)26-35-18(3)19(36-26)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11-12,18-22,25-26,32H,9-10,13-15H2,1-4H3/b7-5+,8-6-,17-12-/t18?,19?,20-,21-,22-,25?,26?,27-,28-,29?/m1/s1 |
| InChIKey | MCGWYAODOJPYQT-GAKLXWPKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Myrothecium (ncbitaxon:5531) | - | DOI (10.1021/jo00345a044) |
| Roles Classification |
|---|
| Biological Role: | mycotoxin Poisonous substance produced by fungi. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Roridin J (CHEBI:204103) is a trichothecene (CHEBI:55517) |
| IUPAC Name |
|---|
| (1R,3R,8R,12Z,19E,21Z,25R,26S)-14-hydroxy-5,13,17,26-tetramethylspiro[2,10,16,24,29-pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa-4,12,19,21-tetraene-27,2'-oxirane]-11,23-dione |