Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004464
PROPERTIES
| NPAID | NPA004464 |
|---|---|
| CLUSTER ID | 105 |
| NODE ID | 100 |
| NAME | Squalestatin S3 |
| FORMULA | C33H44O14 |
| MOLECULAR WEIGHT (Da) | 664.7010 |
| ACCURATE MASS (Da) | 664.2731 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | sp. C2932 |
| InChIKey | HGNGYNVBOWLOPQ-MIDNPAMRSA-N |
| InChI | InChI=1S/C33H44O14/c1-5-18(2)15-19(3)11-12-23(35)45-26-25(37)31(14-13-20(4)24(36)22(17-34)16-21-9-7-6-8-10-21)46-27(28(38)39)32(44,29(40)41)33(26,47-31)30(42)43/h6-12,18-19,22,24-27,34,36-37,44H,4-5,13-17H2,1-3H3,(H,38,39)(H,40,41)(H,42,43)/b12-11+/t18-,19+,22?,24?,25+,26+,27+,31-,32+,33-/m0/s1 |
| SMILES | CC[C@H](C)C[C@H](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(C(CC3=CC=CC=C3)CO)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 |
