Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000855930 | Gold | 1!CCMSLIB00000855932 |
| CCMSLIB00012107953 | Gold | 4 |
| CCMSLIB00009947750 | Gold | 4 |
| CCMSLIB00012127652 | Gold | 4 |
| CCMSLIB00012127653 | Gold | 4 |
| CCMSLIB00009967449 | Gold | 4 |
| CCMSLIB00009967450 | Gold | 4 |
COMPOUND NPA010119
PROPERTIES
| NPAID | NPA010119 |
|---|---|
| CLUSTER ID | 3004 |
| NODE ID | 2298 |
| NAME | Fumagillin |
| FORMULA | C26H34O7 |
| MOLECULAR WEIGHT (Da) | 458.5510 |
| ACCURATE MASS (Da) | 458.2305 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | funigatus H-3 |
| InChIKey | NGGMYCMLYOUNGM-CSDLUJIJSA-N |
| InChI | InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1 |
| SMILES | CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tarbell, DS; Carman, RM; Chapman, DD; Cremer, SE; Cross, AD; Huffman, KR; Kunstmann, M; McCorkindale, NJ; McNally Jr, JG; Rosowsky, A; others The Chemistry of Fumagillin1 Journal of the American Chemical Society 1961 83 (14) 3096-3113. | ||
|---|---|---|---|
| DOI | 10.1021/ja01475a029 | PMID | - |
