Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004961
PROPERTIES
NPAID | NPA004961 |
---|---|
CLUSTER ID | 2504 |
NODE ID | 1973 |
NAME | Ansalactam B |
FORMULA | C33H39NO6 |
MOLECULAR WEIGHT (Da) | 545.6760 |
ACCURATE MASS (Da) | 545.2777 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | XYLCRXBLUITNGR-MWVWETOZSA-N |
InChI | InChI=1S/C33H39NO6/c1-14(2)9-22-25-20(8)33(40)19(7)12-16(4)10-15(3)11-17(5)26(35)24-23-21(13-18(6)27(24)36)30(38)32(25,34-31(22)39)29(33)28(23)37/h10-14,16,20,22,25,29,36,40H,9H2,1-8H3,(H,34,39)/b15-10-,17-11+,19-12+/t16-,20-,22-,25-,29+,32-,33+/m1/s1 |
SMILES | C[C@@H]\1/C=C(\C=C(\C(=O)C2=C3C(=CC(=C2O)C)C(=O)[C@@]45[C@H]([C@H]([C@]([C@H]4C3=O)(/C(=C1)/C)O)C)[C@H](C(=O)N5)CC(C)C)/C)/C |
ORIGINAL ISOLATION REFERENCE
CITATION | Le, Tu Cam; Yang, Inho; Yoon, Yeo Joon; Nam, Sang-Jip; Fenical, William Ansalactams B-D Illustrate Further Biosynthetic Plasticity within the Ansamycin Pathway Organic Letters 2016 18 (9) 2256-2259. | ||
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DOI | 10.1021/acs.orglett.6b00892 | PMID | 27120128 |