Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001007
PROPERTIES
| NPAID | NPA001007 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Landomycin U |
| FORMULA | C55H72O21 |
| MOLECULAR WEIGHT (Da) | 1069.1600 |
| ACCURATE MASS (Da) | 1068.4566 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | cyanogenus S-136 |
| InChIKey | YRKOZTVIWRDMRF-NPDOFNKVSA-N |
| InChI | InChI=1S/C55H72O21/c1-22-16-29-8-9-30-47(46(29)33(58)17-22)53(64)48-32(57)10-12-37(49(48)52(30)63)72-43-19-35(60)55(28(7)70-43)76-45-21-39(51(62)26(5)68-45)74-41-15-13-36(24(3)66-41)71-42-18-34(59)54(27(6)69-42)75-44-20-38(50(61)25(4)67-44)73-40-14-11-31(56)23(2)65-40/h8-10,12,16-17,23-28,31,34-36,38-45,50-51,54-62H,11,13-15,18-21H2,1-7H3/t23-,24-,25+,26+,27+,28+,31-,34+,35+,36-,38+,39+,40-,41-,42-,43-,44-,45-,50+,51+,54+,55+/m0/s1 |
| SMILES | C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3[C@H](O[C@H](C[C@H]3O)O[C@H]4CC[C@@H](O[C@H]4C)O[C@@H]5C[C@@H](O[C@@H]([C@H]5O)C)O[C@@H]6[C@H](O[C@H](C[C@H]6O)OC7=C8C(=C(C=C7)O)C(=O)C9=C(C8=O)C=CC1=CC(=CC(=C19)O)C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shaaban, Khaled A.; Srinivasan, Sowmyalakshmi; Kumar, Raj; Damodaran, Chendil; Rohr, Juergen Landomycins P-W, cytotoxic angucyclines from streptomyces cyanogenus S-136 Journal of Natural Products 2011 74 (1) 2-11. | ||
|---|---|---|---|
| DOI | 10.1021/np100469y | PMID | 21188999 |
