Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA021016
PROPERTIES
NPAID | NPA021016 |
---|---|
CLUSTER ID | 46 |
NODE ID | 11 |
NAME | Trisarubicinol |
FORMULA | C40H51NO15 |
MOLECULAR WEIGHT (Da) | 785.8400 |
ACCURATE MASS (Da) | 785.3259 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | galileus KE303 |
InChIKey | RFRIIINGCQOYCL-HSERIVKWSA-N |
InChI | InChI=1S/C40H51NO15/c1-16-23(43)10-11-27(51-16)55-39-18(3)53-29(13-25(39)45)56-38-17(2)52-28(12-22(38)41(5)6)54-26-15-40(50,19(4)42)14-21-31(26)37(49)33-32(35(21)47)34(46)20-8-7-9-24(44)30(20)36(33)48/h7-9,16-19,22,25-29,38-39,42,44-45,47,49-50H,10-15H2,1-6H3/t16-,17+,18-,19+,22-,25-,26-,27-,28-,29-,38-,39+,40-/m0/s1 |
SMILES | C[C@@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)O)([C@@H](C)O)O)N(C)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Yoshimoto A; Matsuzawa Y; Matsushita Y; Oki T; Takeuchi T; Umezawa H TRISARUBICINOL, NEW ANTITUMOR ANTHRACYCLINE ANTIBIOTIC Journal of Antibiotics 1981 34 (11) 1492-1494. | ||
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DOI | 10.7164/antibiotics.34.1492 | PMID | 7319909 |