compound 3
naturalproductmech:mibig-9d6461095d MINTED SEEDED
Structure
| Standard InChIKey | PXUDDXPBZDEGAF-QMJXDUBLSA-N |
|---|---|
| SMILES | [H][C@]12[C@@](C[C@@H](C)C[C@H]2C)([H])[C@@H]3[C@@](C)(O3)[C@]([H])([C@H](C)CC)[C@]1(C)/C(O)=C/C([H])=O |
| Stereochemistry | fully defined |
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 |
|---|---|---|---|
| Parastagonospora nodorum SN15 NCBITaxon:321614 |
SOURCE_ASSERTION | mibig:BGC0002165 | PMID:31553484 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002165 | Parastagonospora nodorum SN15 NCBITaxon:321614 |
CLUSTER_UNSTATED | genbank:CH445335.1 |
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.
Open questions 1
needs-a-name — This record is labelled 'compound 3', which is a label from the cited paper's own numbering rather than a compound name. Resolve a name from the literature or a structure registry.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0002165 | MIBIG | 3 |
This page is generated from data/natural_products/polyketides/compound-3-2.yaml, which is generated from the committed inventories. Neither is edited by hand.