Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010534
PROPERTIES
| NPAID | NPA010534 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Cinerubin R |
| FORMULA | C42H51NO15 |
| MOLECULAR WEIGHT (Da) | 809.8620 |
| ACCURATE MASS (Da) | 809.3259 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | eurythermus strain H1715MY2 |
| InChIKey | HIMMZWQWBNOPJH-PUVRDKBCSA-N |
| InChI | InChI=1S/C42H51NO15/c1-8-42(51)17-28(32-21(36(42)41(50)52-7)15-22-33(38(32)48)39(49)35-26(46)10-9-25(45)34(35)37(22)47)57-31-16-23(43(5)6)40(20(4)55-31)58-30-14-12-27(19(3)54-30)56-29-13-11-24(44)18(2)53-29/h9-11,13,15,18-20,23,27-31,36,40,45-46,48,51H,8,12,14,16-17H2,1-7H3/t18?,19?,20?,23?,27?,28-,29?,30?,31?,36-,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(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)OC6CCC(C(O6)C)OC7C=CC(=O)C(O7)C)N(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | NAKATA, MITSUNORI; SAITO, MOTOAKI; INOUYE, YOSHIO; NAKAMURA, SHOSHIRO; HAYAKAWA, YOICHI; SETO, HARUO A new anthracycline antibiotic, cinerubin R Taxonomy, structural elucidation and biological activity Journal of Antibiotics 1992 45 (10) 1599-1608. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.45.1599 | PMID | 1473987 |
