Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032785
PROPERTIES
| NPAID | NPA032785 |
|---|---|
| CLUSTER ID | 3641 |
| NODE ID | 2737 |
| NAME | Calbistrin A |
| FORMULA | C31H40O8 |
| MOLECULAR WEIGHT (Da) | 540.6530 |
| ACCURATE MASS (Da) | 540.2723 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | restrictum (AB 1875C-28) |
| InChIKey | YKPRQPBIYQBKND-CCJURPRCSA-N |
| InChI | InChI=1S/C31H40O8/c1-18(10-8-12-25(33)34)9-7-11-20(3)28(36)21(4)29(37)38-23-16-19(2)15-22-13-14-30(5)31(6,27(22)23)24(32)17-26(35)39-30/h7-15,19,21,23,26-28,35-36H,16-17H2,1-6H3,(H,33,34)/b9-7+,12-8+,18-10+,20-11+/t19-,21+,23+,26-,27-,28+,30-,31-/m1/s1 |
| SMILES | CC(/C=C/C=C(\C)[C@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@]3(C)O[C@@H](O)CC(=O)[C@]3(C)[C@H]21)=C\C=C\C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Brill, G M; Chen, R H; Rasmussen, R R; Whittern, D N; McAlpine, J B Calbistrins, novel antifungal agents produced by Penicillium restrictum. II. Isolation and elucidation of structure. Journal of Antibiotics 1993 46 (1) 39-47. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.39 | PMID | 8436558 |
