Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA024805
PROPERTIES
NPAID | NPA024805 |
---|---|
CLUSTER ID | 7593 |
NODE ID | 5201 |
NAME | Divergolide A |
FORMULA | C31H39NO8 |
MOLECULAR WEIGHT (Da) | 553.6520 |
ACCURATE MASS (Da) | 553.2676 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | NXQKNJIQGBLGMU-IJVCHWCPSA-N |
InChI | InChI=1S/C31H39NO8/c1-6-20-8-9-26(24(34)13-17(2)3)38-30(37)18(4)7-10-27(36)32-23-15-21(33)14-22-28-19(5)25(35)16-31(39-28,12-11-20)40-29(22)23/h7-9,13-15,19-20,24,26,28,33-34H,6,10-12,16H2,1-5H3,(H,32,36)/b9-8+,18-7-/t19-,20+,24?,26+,28+,31+/m1/s1 |
SMILES | CC[C@@H]\1CC[C@]23CC(=O)[C@H]([C@H](O2)C4=CC(=CC(=C4O3)NC(=O)C/C=C(\C(=O)O[C@@H](/C=C1)C(C=C(C)C)O)/C)O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Ding L; Maier A; Fiebig HH; Görls H; Lin WH; Peschel G; Hertweck C Divergolides A-D from a mangrove endophyte reveal an unparalleled plasticity in ansa-macrolide biosynthesis. Angewandte Chemie International Edition 2011 50 (7) 1630-1634. | ||
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DOI | 10.1002/anie.201006165 | PMID | 21308920 |