compound 3
naturalproductmech:mibig-f5e8fe411a MINTED SEEDED
Structure
| Standard InChIKey | NEAWGFXMEIEWAS-WIVQCPOBSA-N |
|---|---|
| SMILES | C[C@]12CC[C@H](C(C)(C)C(O)=O)[C@@H]1CC[C@@]3([C@@H]2CC[C@@H]4[C@]5(CC[C@@H]([C@](CO)([C@@H]5CC[C@]43C)C)O)C)C |
| Stereochemistry | fully defined |
Filing pathway
Terpenoids — 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 terpene, saccharide, 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 |
|---|---|---|---|
| Aspergillus fumigatus A1163 NCBITaxon:451804 |
SOURCE_ASSERTION | mibig:BGC0002173 | PMID:30977375 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002173 | Aspergillus fumigatus A1163 NCBITaxon:451804 |
CLUSTER_UNSTATED | genbank:DS499598.1 |
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 |
|---|---|---|
| BGC0002173 | MIBIG | 2 |
This page is generated from data/natural_products/terpenoids/compound-3-3.yaml, which is generated from the committed inventories. Neither is edited by hand.