Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004684788 | Bronze | austadiol |
| CCMSLIB00004684789 | Bronze | austadiol |
| CCMSLIB00004684790 | Bronze | austadiol |
| CCMSLIB00004691784 | Bronze | austadiol |
| CCMSLIB00004691785 | Bronze | austadiol |
| CCMSLIB00004691786 | Bronze | austadiol |
| CCMSLIB00004691787 | Bronze | austadiol |
| CCMSLIB00004691788 | Bronze | austadiol |
| CCMSLIB00004691789 | Bronze | austadiol |
| CCMSLIB00004684787 | Bronze | austadiol |
| CCMSLIB00000847928 | Gold | 1 |
| CCMSLIB00005721835 | Gold | 3 |
| CCMSLIB00012131875 | Gold | 4 |
| CCMSLIB00009971672 | Gold | 4 |
COMPOUND NPA003823
PROPERTIES
| NPAID | NPA003823 |
|---|---|
| CLUSTER ID | 276 |
| NODE ID | 250 |
| NAME | Austdiol |
| FORMULA | C12H12O5 |
| MOLECULAR WEIGHT (Da) | 236.2230 |
| ACCURATE MASS (Da) | 236.0685 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | viridicatum |
| InChIKey | QVMUHZHZYCDMAI-RYUDHWBXSA-N |
| InChI | InChI=1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1 |
| SMILES | CC1=CC2=C(C(=O)[C@]([C@H](C2=CO1)O)(C)O)C=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vleggaar, R; Steyn, P S; Nagel, D W Constitution and absolute configuration of austdiol, the main toxic metabolite from Aspergillus ustus Journal of the Chemical Society, Perkin Transactions 1 1974 1 45-49. | ||
|---|---|---|---|
| DOI | 10.1039/p19740000045 | PMID | 4856117 |
