Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024380
PROPERTIES
| NPAID | NPA024380 |
|---|---|
| CLUSTER ID | 7452 |
| NODE ID | 4578 |
| NAME | Isatropolone B |
| FORMULA | C24H24O9 |
| MOLECULAR WEIGHT (Da) | 456.4470 |
| ACCURATE MASS (Da) | 456.1420 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. Gö66 |
| InChIKey | GPTONKSPQNETHU-YTAGPCPYSA-N |
| InChI | InChI=1S/C24H24O9/c1-5-6-13(25)16-11-7-9(2)31-20-15(11)12(18(16)27)8-14(26)17-21(20)33-23-24(17,29)22(28)19(30-4)10(3)32-23/h7-8,10,19,22-23,28-29H,5-6H2,1-4H3/t10-,19-,22+,23+,24-/m1/s1 |
| SMILES | CCCC(=O)C1=C2C=C(OC3=C2C(=CC(=O)C4=C3O[C@H]5[C@@]4([C@H]([C@@H]([C@H](O5)C)OC)O)O)C1=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cai, Xiaofeng; Shi, Yi-Ming; Pöhlmann, Nicole; Revermann, Ole; Bahner, Isabel; Pidot, Sacha J.; Wesche, Frank; Lackner, Helmut; Büchel, Claudia; Kaiser, Marcel; Richter, Christian; Schwalbe, Harald; Stinear, Timothy P.; Zeeck, Axel; Bode, Helge B. Structure and Biosynthesis of Isatropolones, Bioactive Amine-Scavenging Fluorescent Natural Products from Streptomyces Gö66 Angewandte Chemie International Edition 2017 56 (18) 4945-4949. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201701223 | PMID | 28371116 |
