Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005724299 | Gold | 3 |
COMPOUND NPA019236
PROPERTIES
| NPAID | NPA019236 |
|---|---|
| CLUSTER ID | 2415 |
| NODE ID | 1899 |
| NAME | Bottromycin B2 |
| FORMULA | C41H60N8O7S |
| MOLECULAR WEIGHT (Da) | 809.0470 |
| ACCURATE MASS (Da) | 808.4306 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | bottropensis |
| InChIKey | UVHKHTJWCYXSLC-PPZIYWBKSA-N |
| InChI | InChI=1S/C41H60N8O7S/c1-23(2)30-36(53)48-32(40(4,5)6)34(43-22-28(50)49-19-14-17-27(49)35(52)45-30)47-33(41(7,8)9)38(55)46-31(24(3)25-15-12-11-13-16-25)37(54)44-26(21-29(51)56-10)39-42-18-20-57-39/h11-13,15-16,18,20,23-24,26-27,30-33H,14,17,19,21-22H2,1-10H3,(H,43,47)(H,44,54)(H,45,52)(H,46,55)(H,48,53)/t24-,26+,27-,30-,31-,32+,33+/m0/s1 |
| SMILES | C[C@@H](C1=CC=CC=C1)[C@@H](C(=O)N[C@H](CC(=O)OC)C2=NC=CS2)NC(=O)[C@H](C(C)(C)C)NC3=NCC(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H]3C(C)(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kaneda, Miyuki Studies on bottromycins. II. Structure elucidation of bottromycins B2 and C2 Journal of Antibiotics 2002 55 (10) 924-928. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.55.924 | PMID | 12523827 |
