Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008593
PROPERTIES
| NPAID | NPA008593 |
|---|---|
| CLUSTER ID | 105 |
| NODE ID | 100 |
| NAME | Squalestatin Y1 |
| FORMULA | C35H48O14 |
| MOLECULAR WEIGHT (Da) | 692.7550 |
| ACCURATE MASS (Da) | 692.3044 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. C2932 |
| InChIKey | QGBYFOLYEPZFML-QZUFLENVSA-N |
| InChI | InChI=1S/C35H48O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-20,22,26-29,38,45H,4,7,13-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/t19?,20?,22-,26-,27-,28-,29-,33+,34-,35+/m1/s1 |
| SMILES | CCC(C)CC(C)CCC(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Blows; Foster; Lane; Noble; Piercey; Sidebottom; Webb The squalestatins, novel inhibitors of squalene synthase produced by a species of Phoma. V. Minor metabolites Journal of Antibiotics 1994 47 (7) 740-754. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.47.740 | PMID | 8071119 |
