Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005778313 | Gold | 3 |
| CCMSLIB00005778033 | Gold | 3 |
| CCMSLIB00005778296 | Gold | 3 |
| CCMSLIB00005778149 | Gold | 3 |
| CCMSLIB00005778227 | Gold | 3 |
| CCMSLIB00005778140 | Gold | 3 |
| CCMSLIB00005777824 | Gold | 3 |
| CCMSLIB00005777784 | Gold | 3 |
| CCMSLIB00005777965 | Gold | 3 |
| CCMSLIB00005778142 | Gold | 3 |
| CCMSLIB00005777975 | Gold | 3 |
| CCMSLIB00005778169 | Gold | 3 |
| CCMSLIB00005778082 | Gold | 3 |
| CCMSLIB00005777697 | Gold | 3 |
| CCMSLIB00005778153 | Gold | 3 |
| CCMSLIB00005777890 | Gold | 3 |
| CCMSLIB00005777904 | Gold | 3 |
| CCMSLIB00005777978 | Gold | 3 |
| CCMSLIB00005778166 | Gold | 3 |
| CCMSLIB00005778188 | Gold | 3 |
| CCMSLIB00012110030 | Gold | 4 |
| CCMSLIB00012110031 | Gold | 4 |
| CCMSLIB00012110032 | Gold | 4 |
| CCMSLIB00012110033 | Gold | 4 |
| CCMSLIB00009949827 | Gold | 4 |
| CCMSLIB00009949829 | Gold | 4 |
| CCMSLIB00009949828 | Gold | 4 |
| CCMSLIB00009949830 | Gold | 4 |
COMPOUND NPA008799
PROPERTIES
| NPAID | NPA008799 |
|---|---|
| CLUSTER ID | 860 |
| NODE ID | 744 |
| NAME | Isosilybin A |
| FORMULA | C25H22O10 |
| MOLECULAR WEIGHT (Da) | 482.4410 |
| ACCURATE MASS (Da) | 482.1213 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | iizukae |
| InChIKey | FDQAOULAVFHKBX-HKTJVKLFSA-N |
| InChI | InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1 |
| SMILES | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=CC(=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | El-Elimat, Tamam; Raja, Huzefa A.; Graf, Tyler N.; Faeth, Stanley H.; Cech, Nadja B.; Oberlies, Nicholas H. Flavonolignans from Aspergillus iizukae, a fungal endophyte of milk thistle (Silybum marianum) Journal of Natural Products 2014 77 (2) 193-199. | ||
|---|---|---|---|
| DOI | 10.1021/np400955q | PMID | 24456525 |
SYNTHESES
| CITATION 1 | McDonald BR; Nibbs AE; Scheidt KA A biomimetic strategy to access the silybins: total synthesis of (-)-isosilybin A. Organic Letters 2015 17 (1) 98-101. DOI: 10.1021/ol503303w PMID: 25517432 | ||
|---|---|---|---|
