Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA031580
PROPERTIES
| NPAID | NPA031580 |
|---|---|
| CLUSTER ID | 9192 |
| NODE ID | 6171 |
| NAME | Bosamycin B |
| FORMULA | C50H67N9O18 |
| MOLECULAR WEIGHT (Da) | 1082.1310 |
| ACCURATE MASS (Da) | 1081.4604 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. 120454 |
| InChIKey | VMWFRCGSDCBPRJ-VSGXLYRTSA-N |
| InChI | InChI=1S/C50H67N9O18/c1-24(2)16-32(42(67)52-22-39(64)65)53-45(70)36(20-28-10-15-31(63)21-38(28)77-5)56-47(72)37(23-60)57-48(73)40(41(66)49(74)75)59-46(71)33(17-25(3)4)54-43(68)34(18-26-6-11-29(61)12-7-26)55-44(69)35(58-50(51)76)19-27-8-13-30(62)14-9-27/h6-15,21,24-25,32-37,40-41,60-63,66H,16-20,22-23H2,1-5H3,(H,52,67)(H,53,70)(H,54,68)(H,55,69)(H,56,72)(H,57,73)(H,59,71)(H,64,65)(H,74,75)(H3,51,58,76)/t32-,33-,34+,35-,36+,37-,40-,41+/m0/s1 |
| SMILES | COC1=C(C[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(N)=O)[C@@H](O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)C=CC(O)=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xu, Zi Fei; Bo, Sheng Tao; Wang, Mei Jing; Shi, Jing; Jiao, Rui Hua; Sun, Yang; Xu, Qiang; Tan, Ren Xiang; Ge, Hui Ming Discovery and biosynthesis of bosamycins from Streptomyces sp. 120454. Chemical Science 2020 11 (34) 9237-9245. | ||
|---|---|---|---|
| DOI | 10.1039/d0sc03469j | PMID | 34094195 |
