Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000852152 | Gold | 1 |
| CCMSLIB00012132140 | Gold | 4 |
| CCMSLIB00009971937 | Gold | 4 |
COMPOUND NPA020440
PROPERTIES
| NPAID | NPA020440 |
|---|---|
| CLUSTER ID | 414 |
| NODE ID | 373 |
| NAME | Fumitremorgin C |
| FORMULA | C22H25N3O3 |
| MOLECULAR WEIGHT (Da) | 379.4600 |
| ACCURATE MASS (Da) | 379.1896 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus |
| InChIKey | DBEYVIGIPJSTOR-FHWLQOOXSA-N |
| InChI | InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1 |
| SMILES | CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rabindran, SK; He, H; Singh, M; Brown, E; Collins, KI; Annable, T; Greenberger, LM Reversal of a Novel Multidrug Resistance Mechanism in Human Colon Carcinoma Cells by Fumitremorgin C Cancer Research 1998 58 (24) 5850-5858. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541160 | PMID | 9865745 |
