Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA020412
PROPERTIES
NPAID | NPA020412 |
---|---|
CLUSTER ID | 6456 |
NODE ID | 4466 |
NAME | Safracin B |
FORMULA | C28H36N4O7 |
MOLECULAR WEIGHT (Da) | 540.6170 |
ACCURATE MASS (Da) | 540.2584 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Pseudomonas |
ORIGIN SPECIES | fluorescens |
InChIKey | GKUZBRIJGIGFKC-ZWWMATSUSA-N |
InChI | InChI=1S/C28H36N4O7/c1-11-7-14-8-17-28(37)32-16(21(31(17)4)19(14)23(34)25(11)38-5)9-15-20(18(32)10-30-27(36)13(3)29)24(35)26(39-6)12(2)22(15)33/h7,13,16-18,21,28,34,37H,8-10,29H2,1-6H3,(H,30,36)/t13-,16-,17+,18-,21+,28?/m0/s1 |
SMILES | CC1=C(C(=C2[C@H]3[C@@H]4CC5=C([C@@H](N4C([C@H](N3C)CC2=C1)O)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC)O)OC |
ORIGINAL ISOLATION REFERENCE
CITATION | Ikeda, Y; Matsuki, H; Ogawa, T; Munakata, T Safracins, new antitumor antibiotics. II. Physicochemical properties and chemical structures Journal of Antibiotics 1983 36 (10) 1284-1289. | ||
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DOI | 10.7164/antibiotics.36.1284 | PMID | 6643278 |