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CHEBI:223554 - 5-epi-trithiopretrichodermamide A
| Formula | C20H22N2O9S3 |
| Net Charge | 0 |
| Average Mass | 530.602 |
| Monoisotopic Mass | 530.04874 |
| SMILES | COc1ccc([C@H]2SSS[C@@]34C[C@]5(O)[C@@H](O)C=C[C@@H](O)[C@@H]5ON3C(=O)[C@@H]2NC4=O)c(O)c1OC |
| InChI | InChI=1S/C20H22N2O9S3/c1-29-10-5-3-8(13(25)14(10)30-2)15-12-17(26)22-20(18(27)21-12,33-34-32-15)7-19(28)11(24)6-4-9(23)16(19)31-22/h3-6,9,11-12,15-16,23-25,28H,7H2,1-2H3,(H,21,27)/t9-,11+,12-,15-,16+,19+,20-/m1/s1 |
| InChIKey | KKLSQYHUVIECRV-GGLVFAGASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trichoderma (ncbitaxon:5543) | - | PubMed (32427947) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-epi-trithiopretrichodermamide A (CHEBI:223554) is a methoxybenzenes (CHEBI:51683) |
| 5-epi-trithiopretrichodermamide A (CHEBI:223554) is a phenols (CHEBI:33853) |
| IUPAC Name |
|---|
| (1R,3S,4S,7R,8S,12S,13R)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.01,10.03,8]octadec-5-ene-11,17-dione |
| Manual Xrefs | Databases |
|---|---|
| 95798016 | ChemSpider |