Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001663 | Gold | 1 |
COMPOUND NPA020052
PROPERTIES
| NPAID | NPA020052 |
|---|---|
| CLUSTER ID | 3527 |
| NODE ID | 2658 |
| NAME | Arenimycin B |
| FORMULA | C41H48N2O15 |
| MOLECULAR WEIGHT (Da) | 808.8340 |
| ACCURATE MASS (Da) | 808.3055 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Salinispora |
| ORIGIN SPECIES | arenicola CNB-527 |
| InChIKey | GKWSTXDESFGCFI-JCWQUROISA-N |
| InChI | InChI=1S/C41H48N2O15/c1-16-13-19-11-12-40(55-8)37(50)28-21(36(49)41(40,52)29(19)32(47)26(16)39(51)54-7)14-20-27(31(28)46)24(44)15-22(30(20)45)42-38-35(53-6)33(48)34(18(3)57-38)58-25-10-9-23(43(4)5)17(2)56-25/h13-15,17-18,23,25,33-35,38,42,46-48,52H,9-12H2,1-8H3/t17-,18-,23-,25+,33-,34-,35+,38-,40-,41+/m0/s1 |
| SMILES | C[C@H]1[C@H](CC[C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@H]2O)OC)NC3=CC(=O)C4=C(C5=C(C=C4C3=O)C(=O)[C@@]6(C7=C(C(=C(C=C7CC[C@@]6(C5=O)OC)C)C(=O)OC)O)O)O)C)N(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kersten RD; Ziemert N; Gonzalez DJ; Duggan BM; Nizet V; Dorrestein PC; Moore BS Glycogenomics as a mass spectrometry-guided genome-mining method for microbial glycosylated molecules. Proceedings of the National Academy of Sciences of the United States of America 2013 110 (47) E4407-16. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.1315492110 | PMID | 24191063 |
