Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020943
PROPERTIES
| NPAID | NPA020943 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Ditrisarubicin B |
| FORMULA | C60H80N2O22 |
| MOLECULAR WEIGHT (Da) | 1181.2920 |
| ACCURATE MASS (Da) | 1180.5203 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | cyaneus MG344-hF49 |
| InChIKey | MUVMZSPKUBTGDH-XKMCSLBRSA-N |
| InChI | InChI=1S/C60H80N2O22/c1-12-60(70)22-39(79-40-16-30(61(8)9)53(25(4)71-40)80-42-20-35-55(27(6)73-42)83-58-37(77-35)18-33(64)23(2)75-58)45-48(52(69)46-47(51(45)68)50(67)44-29(49(46)66)14-13-15-32(44)63)57(60)82-41-17-31(62(10)11)54(26(5)72-41)81-43-21-36-56(28(7)74-43)84-59-38(78-36)19-34(65)24(3)76-59/h13-15,23-28,30-31,35-43,53-59,63,68-70H,12,16-22H2,1-11H3/t23-,24+,25-,26+,27-,28+,30+,31-,35-,36+,37-,38-,39+,40+,41+,42+,43+,53-,54-,55-,56+,57-,58+,59+,60-/m0/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]6[C@@H]([C@H](O5)C)O[C@@H]7[C@@H](O6)CC(=O)[C@H](O7)C)N(C)C)O)C(=O)C8=C(C3=O)C(=CC=C8)O)O)O[C@@H]9C[C@H]([C@H]([C@@H](O9)C)O[C@@H]1C[C@H]2[C@H]([C@@H](O1)C)O[C@@H]1[C@@H](O2)CC(=O)[C@@H](O1)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 |
