Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA020512
PROPERTIES
NPAID | NPA020512 |
---|---|
CLUSTER ID | 1086 |
NODE ID | 936 |
NAME | β-Rubromycin |
FORMULA | C27H20O12 |
MOLECULAR WEIGHT (Da) | 536.4450 |
ACCURATE MASS (Da) | 536.0955 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | collinus |
InChIKey | FXCBZGHGMRSWJD-MHZLTWQESA-N |
InChI | InChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1 |
SMILES | COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)O[C@]4(C3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)OC |
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 |