Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009402
PROPERTIES
| NPAID | NPA009402 |
|---|---|
| CLUSTER ID | 105 |
| NODE ID | 100 |
| NAME | Squalestatin U2 |
| FORMULA | C33H46O14 |
| MOLECULAR WEIGHT (Da) | 666.7170 |
| ACCURATE MASS (Da) | 666.2888 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. C2932 |
| InChIKey | YKYKYWTXDKTJJG-KNJUPECVSA-N |
| InChI | InChI=1S/C33H46O14/c1-6-17(2)14-19(4)22(34)16-23(35)45-26-25(37)31(13-12-18(3)24(36)20(5)15-21-10-8-7-9-11-21)46-27(28(38)39)32(44,29(40)41)33(26,47-31)30(42)43/h7-11,17,19-20,22,24-27,34,36-37,44H,3,6,12-16H2,1-2,4-5H3,(H,38,39)(H,40,41)(H,42,43)/t17?,19?,20-,22?,24-,25-,26-,27-,31+,32-,33+/m1/s1 |
| SMILES | CCC(C)CC(C)C(CC(=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)O)O)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 |
