Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA000813
PROPERTIES
NPAID | NPA000813 |
---|---|
CLUSTER ID | 85 |
NODE ID | 80 |
NAME | Coumabiocin E |
FORMULA | C31H36N2O12 |
MOLECULAR WEIGHT (Da) | 628.6310 |
ACCURATE MASS (Da) | 628.2268 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. L-4-4 |
InChIKey | NXIHCVXNQGOJKR-ORVJENOTSA-N |
InChI | InChI=1S/C31H36N2O12/c1-13(2)19(35)12-16-11-15(7-9-18(16)34)27(38)33-21-22(36)17-8-10-20(14(3)24(17)43-28(21)39)42-29-23(37)25(44-30(32)40)26(41-6)31(4,5)45-29/h7-11,19,23,25-26,29,34-37H,1,12H2,2-6H3,(H2,32,40)(H,33,38)/t19?,23-,25+,26-,29-/m1/s1 |
SMILES | CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC(C(=C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Cheenpracha, Sarot; Vidor, Nicholas B.; Yoshida, Wesley Y.; Davies, Julian; Chang, Leng Chee Coumabiocins A-F, aminocoumarins from an organic extract of Streptomyces sp. L-4-4 Journal of Natural Products 2010 73 (5) 880-884. | ||
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DOI | 10.1021/np900843b | PMID | 20384319 |