Secalonic acid B
naturalproductmech:mibig-974978c55a MINTED SEEDED
Structure
| Standard InChIKey | NFZJAYYORNVZNI-HFEWAROQSA-N |
|---|---|
| SMILES | C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@]6([C@H]([C@H](CC(=O)C6=C5O)C)O)C(=O)OC)O)O[C@]2([C@H]1O)C(=O)OC)O |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA019213 |
Filing pathway
Polyketides — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is pks, from MIBiG.
Producer organisms 1
A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.
| Taxon | Basis | Cluster | Evidence |
|---|---|---|---|
| Claviceps purpurea 20.1 NCBITaxon:1111077 |
SOURCE_ASSERTION | mibig:BGC0001886 | DOI:10.1186/s40694-016-0020-z |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001886 | Claviceps purpurea 20.1 NCBITaxon:1111077 |
CLUSTER_UNSTATED | genbank:CAGA01000032.1 |
A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001886 | MIBIG | 2 |
This page is generated from data/natural_products/polyketides/secalonic-acid-b.yaml, which is generated from the committed inventories. Neither is edited by hand.