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CHEBI:169379 - Talaromycin A
| Formula | C12H22O4 |
| Net Charge | 0 |
| Average Mass | 230.304 |
| Monoisotopic Mass | 230.15181 |
| SMILES | CC[C@@H]1CC[C@@]2(C[C@H](O)[C@H](CO)CO2)OC1 |
| InChI | InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3/t9-,10-,11+,12-/m1/s1 |
| InChIKey | VDWRKBZMQNPUOB-WISYIIOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Talaromyces (ncbitaxon:5094) | - | PubMed (30198640) | |
| Talaromycesspecies (ncbitaxon:1707706) | - | PubMed (25766917) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Talaromycin A (CHEBI:169379) is a ketal (CHEBI:59777) |
| IUPAC Names |
|---|
| (3R,4S,6R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol |
| 6-[(E)-4-hydroxybut-2-en-2-yl]-5-(hydroxymethyl)-4-methoxypyran-2-one |
| [1-(6-ormyl-1-methoxy-8-methyldibenzouran-2-yl)-3-methylbutyl] acetate |
| Registry Numbers | Sources |
|---|---|
| CAS:83720-10-9 | ChemIDplus |