Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020121
PROPERTIES
| NPAID | NPA020121 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Aclacinomycin A1 |
| FORMULA | C42H53NO15 |
| MOLECULAR WEIGHT (Da) | 811.8780 |
| ACCURATE MASS (Da) | 811.3415 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | galilaeus MA144-Ml |
| InChIKey | USZYSDMBJDPRIF-SVEJIMAYSA-N |
| InChI | InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1 |
| SMILES | CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Oki T, Kitamura I, Matsuzawa Y, Shibamoto N, Ogasawara T, Yoshimoto A, Inui T, Naganawa H, Takeuchi T, Umezawa H ANTITUMOR ANTHRACYCLINE ANTIBIOTICS, ACLACINOMYCIN A AND ANALOGUES II. STRUCTURAL DETERMINATION Journal of Antibiotics 1979 32 (8) 801-809. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.32.801 | PMID | 500501 |
