Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020944
PROPERTIES
| NPAID | NPA020944 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Ditrisarubicin A |
| FORMULA | C60H82N2O22 |
| MOLECULAR WEIGHT (Da) | 1183.3080 |
| ACCURATE MASS (Da) | 1182.5359 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | cyaneus MG344-hF49 |
| InChIKey | YSHFQLRUHOZEFD-KJZWKHKUSA-N |
| InChI | InChI=1S/C60H82N2O22/c1-12-60(71)23-39(79-41-18-31(61(8)9)55(26(4)73-41)82-44-22-37-57(29(7)76-44)84-59-38(78-37)20-35(65)25(3)77-59)46-49(53(70)47-48(52(46)69)51(68)45-30(50(47)67)14-13-15-34(45)64)58(60)83-42-19-32(62(10)11)54(27(5)74-42)81-43-21-36(66)56(28(6)75-43)80-40-17-16-33(63)24(2)72-40/h13-15,24-29,31-32,36-44,54-59,64,66,69-71H,12,16-23H2,1-11H3/t24-,25-,26-,27-,28+,29+,31-,32-,36+,37-,38+,39-,40-,41+,42-,43-,44+,54+,55+,56-,57+,58-,59+,60-/m1/s1 |
| SMILES | CC[C@]1(C[C@H](C2=C(C3=C(C(=C2[C@H]1O[C@@H]4C[C@H]([C@H]([C@H](O4)C)O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@@H]6CCC(=O)[C@H](O6)C)O)N(C)C)O)C(=O)C7=C(C3=O)C(=CC=C7)O)O)O[C@H]8C[C@H]([C@H]([C@H](O8)C)O[C@H]9C[C@@H]1[C@H]([C@@H](O9)C)O[C@H]2[C@@H](O1)CC(=O)[C@H](O2)C)N(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Uchida T; Imoto M; Masuda T; Imamura K; Hatori Y; Sawa T; Naganawa H; Hamada M; Takeuchi T; Umezawa H NEW ANTITUMOR ANTIBIOTICS, DITRISARUBICINS A, B AND C Journal of Antibiotics 1983 36 (8) 1080-1083. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.36.1080 | PMID | 6630060 |
