Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016549
PROPERTIES
| NPAID | NPA016549 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | JBIR-92 |
| FORMULA | C47H55NO16 |
| MOLECULAR WEIGHT (Da) | 889.9480 |
| ACCURATE MASS (Da) | 889.3521 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. RI33 |
| InChIKey | UQUWTRHBIDIQNA-ABGHLAJSSA-N |
| InChI | InChI=1S/C47H55NO16/c1-19-13-32(52)47(58)38-25(11-12-46(47,18-19)64-34-15-28(48(5)6)43(22(4)61-34)62-33-17-30(51)40(54)21(3)60-33)41(55)37-36-27(14-26(42(37)56)31-16-29(50)39(53)20(2)59-31)35(45(57)63-44(36)38)23-7-9-24(49)10-8-23/h7-12,14,19-22,28-31,33-34,39-40,43,49-51,53-54,56,58H,13,15-18H2,1-6H3/t19?,20-,21-,22-,28-,29-,30-,31-,33-,34-,39-,40+,43+,46?,47?/m1/s1 |
| SMILES | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=CC3=C(C(=O)OC4=C3C(=C2O)C(=O)C5=C4C6(C(=O)CC(CC6(C=C5)O[C@@H]7C[C@H]([C@H]([C@H](O7)C)O[C@@H]8C[C@H]([C@H]([C@H](O8)C)O)O)N(C)C)C)O)C9=CC=C(C=C9)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ueda, Jun-Ya; Izumikawa, Miho; Mukai, Akira; Nagai, Aya; Hwang, Ji-Hwan; Takagi, Motoki; Shin-Ya, Kazuo New angucycline C-glycosides from Streptomyces sp. RI33 Journal of Antibiotics 2011 64 (5) 367-372. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2011.8 | PMID | 21326253 |
