Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577530 | Gold | 3 |
COMPOUND NPA017365
PROPERTIES
| NPAID | NPA017365 |
|---|---|
| CLUSTER ID | 1714 |
| NODE ID | 96 |
| NAME | FR901459 |
| FORMULA | C62H111N11O13 |
| MOLECULAR WEIGHT (Da) | 1218.6340 |
| ACCURATE MASS (Da) | 1217.8363 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stachybotrys |
| ORIGIN SPECIES | chartarum No. 19392 |
| InChIKey | RXQFIJPCAOCJDB-FMOTYOMISA-N |
| InChI | InChI=1S/C62H111N11O13/c1-24-25-26-39(14)52(76)51-57(81)67-49(42(17)74)61(85)68(18)32-48(75)69(19)45(29-35(6)7)55(79)65-43(27-33(2)3)59(83)71(21)46(30-36(8)9)54(78)63-40(15)53(77)64-41(16)58(82)70(20)47(31-37(10)11)56(80)66-44(28-34(4)5)60(84)72(22)50(38(12)13)62(86)73(51)23/h24-25,33-47,49-52,74,76H,26-32H2,1-23H3,(H,63,78)(H,64,77)(H,65,79)(H,66,80)(H,67,81)/b25-24+/t39-,40+,41-,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 |
| SMILES | C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)CC(C)C)C)C)[C@@H](C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sakamoto, K; Tsujii, E; Miyauchi, M; Nakanishi, T; Yamashita, M; Shigematsu, N; Tada, T; Izumi, S; Okuhara, M FR901459, a novel immunosuppressant isolated from Stachybotrys chartarum No. 19392. Taxonomy of the producing organism, fermentation, isolation, physico-chemical properties and biological activities Journal of Antibiotics 1993 46 (12) 1788-1798. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.1788 | PMID | 8294235 |
