Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA020513
PROPERTIES
NPAID | NPA020513 |
---|---|
CLUSTER ID | 1086 |
NODE ID | 936 |
NAME | γ-Rubromycin |
FORMULA | C26H18O12 |
MOLECULAR WEIGHT (Da) | 522.4180 |
ACCURATE MASS (Da) | 522.0798 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | collinus |
InChIKey | CKLKRRFSZZUFKT-SANMLTNESA-N |
InChI | InChI=1S/C26H18O12/c1-34-13-7-12(27)16-17(19(13)29)21(31)23-11(18(16)28)8-26(38-23)4-3-9-5-10-6-14(24(32)35-2)36-25(33)15(10)20(30)22(9)37-26/h5-7,28,30-31H,3-4,8H2,1-2H3/t26-/m0/s1 |
SMILES | COC1=CC(=O)C2=C(C1=O)C(=C3C(=C2O)C[C@@]4(O3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Brockmann, Hans; Zeeck, Axel Rubromycine, III. Die Konstitution von α-Rubromycin, β-Rubromycin, γ-Rubromycin und γ-iso-Rubromycin Chemische Berichte 1970 103 (6) 1709-1726. | ||
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DOI | 10.1002/cber.19701030607 | PMID | 25855820 |