Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005724300 | Gold | 3 |
| CCMSLIB00012103573 | Gold | 4 |
| CCMSLIB00012103572 | Gold | 4 |
| CCMSLIB00009943370 | Gold | 4 |
| CCMSLIB00009943369 | Gold | 4 |
COMPOUND NPA017738
PROPERTIES
| NPAID | NPA017738 |
|---|---|
| CLUSTER ID | 2415 |
| NODE ID | 1899 |
| NAME | Bottromycin A2 acid |
| FORMULA | C41H60N8O7S |
| MOLECULAR WEIGHT (Da) | 809.0470 |
| ACCURATE MASS (Da) | 808.4306 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | no. 3668-L2 |
| InChIKey | XNEHMJCUBKZYMV-CRJLVRDWSA-N |
| InChI | InChI=1S/C41H60N8O7S/c1-22(2)29-35(53)48-32(40(5,6)7)34(43-21-27(50)49-18-16-23(3)31(49)37(55)45-29)47-33(41(8,9)10)38(56)46-30(24(4)25-14-12-11-13-15-25)36(54)44-26(20-28(51)52)39-42-17-19-57-39/h11-15,17,19,22-24,26,29-33H,16,18,20-21H2,1-10H3,(H,43,47)(H,44,54)(H,45,55)(H,46,56)(H,48,53)(H,51,52)/t23-,24+,26-,29+,30+,31+,32-,33-/m1/s1 |
| SMILES | C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=NCC2=O)N[C@H](C(=O)N[C@@H]([C@@H](C)C3=CC=CC=C3)C(=O)N[C@H](CC(=O)O)C4=NC=CS4)C(C)(C)C)C(C)(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ackermann, Stefanie; Lerchen, Hans-Georg; Häbich, Dieter; Ullrich, Angelika; Kazmaier, Uli Synthetic studies towards bottromycin Beilstein Journal of Organic Chemistry 2012 8 1652. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.14.981 | PMID | 5976517 |
