Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727189 | Gold | 3 |
| CCMSLIB00005727335 | Gold | 3 |
| CCMSLIB00005727655 | Gold | 3 |
| CCMSLIB00005727815 | Gold | 3 |
| CCMSLIB00005727186 | Gold | 3 |
COMPOUND NPA028986
PROPERTIES
| NPAID | NPA028986 |
|---|---|
| CLUSTER ID | 3206 |
| NODE ID | 433 |
| NAME | Austin |
| FORMULA | C27H32O9 |
| MOLECULAR WEIGHT (Da) | 500.5440 |
| ACCURATE MASS (Da) | 500.2046 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ustus |
| InChIKey | DEMDOYQPCDXCEB-WLEVADLXSA-N |
| InChI | InChI=1S/C27H32O9/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19+,23+,24+,25+,26+,27-/m0/s1 |
| SMILES | C=C1[C@]23C(=O)O[C@@H](C)[C@]2(O)C(=O)O[C@@]1(C)[C@H](OC(C)=O)C1=C(C)[C@@]2(C=CC(=O)OC2(C)C)CC[C@]13C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chexal KK; Spinger JP; Clardy J; Cole RJ; Kirksey JW; Dorner JW; Cutler HG; Strawter BJ Austin, a novel polyisoprenoid mycotoxin from Aspergillus ustus. Journal of the American Chemical Society 1976 98 (21) 6748. | ||
|---|---|---|---|
| DOI | 10.1021/ja00437a081 | PMID | 972231 |
