Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018422
PROPERTIES
NPAID | NPA018422 |
---|---|
CLUSTER ID | 46 |
NODE ID | 11 |
NAME | Cosmomycin A |
FORMULA | C40H53NO13 |
MOLECULAR WEIGHT (Da) | 755.8580 |
ACCURATE MASS (Da) | 755.3517 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | cosmosus TMF518 |
InChIKey | HBOXKYFBCPFWOK-RIYWTIGOSA-N |
InChI | InChI=1S/C40H53NO13/c1-7-40(48)16-15-22-31(37(47)33-32(35(22)45)36(46)30-21(34(33)44)9-8-10-25(30)43)39(40)54-29-17-23(41(5)6)38(20(4)51-29)53-28-14-12-26(19(3)50-28)52-27-13-11-24(42)18(2)49-27/h8-10,18-20,23-24,26-29,38-39,42-43,45,47-48H,7,11-17H2,1-6H3/t18-,19-,20-,23-,24-,26-,27-,28-,29-,38+,39+,40+/m0/s1 |
SMILES | CC[C@]1(CCC2=C(C3=C(C(=C2[C@H]1O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O[C@H]6CC[C@@H]([C@@H](O6)C)O)N(C)C)O)C(=O)C7=C(C3=O)C(=CC=C7)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Ando, Toshihiko; Hirayama, Kazuo; Takahashi, Rei; Horino, Issei; Etoh, Yuzuru; Morioka, Hajimu; Shibai, Hiroshiro; Murai, Asao The structures of anthracycline antibiotics, cosmomycins A and B Agricultural and Biological Chemistry 1985 49 (4) 1207-1209. | ||
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DOI | 10.1080/00021369.1985.10866879 | PMID | - |