Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017748
PROPERTIES
| NPAID | NPA017748 |
|---|---|
| CLUSTER ID | 105 |
| NODE ID | 100 |
| NAME | Squalestatin X1 |
| FORMULA | C34H44O14 |
| MOLECULAR WEIGHT (Da) | 676.7120 |
| ACCURATE MASS (Da) | 676.2731 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. C2932 |
| InChIKey | FISMDHMMGPGKKO-PCHOQMDKSA-N |
| InChI | InChI=1S/C34H44O14/c1-6-7-11-19(2)14-15-24(36)46-27-26(37)32(47-28(29(38)39)33(44,30(40)41)34(27,48-32)31(42)43)17-16-20(3)25(45-22(5)35)21(4)18-23-12-9-8-10-13-23/h8-10,12-15,19,21,25-28,37,44H,3,6-7,11,16-18H2,1-2,4-5H3,(H,38,39)(H,40,41)(H,42,43)/b15-14+/t19?,21-,25-,26-,27-,28-,32+,33-,34+/m1/s1 |
| SMILES | CCCCC(C)/C=C/C(=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 |
