Compounds
COMPOUND NPA001288
PROPERTIES
| NPAID | NPA001288 |
|---|---|
| CLUSTER ID | 860 |
| NODE ID | 744 |
| NAME | Silybin A |
| FORMULA | C25H22O10 |
| MOLECULAR WEIGHT (Da) | 482.4410 |
| ACCURATE MASS (Da) | 482.1213 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | iizukae |
| InChIKey | SEBFKMXJBCUCAI-HKTJVKLFSA-N |
| InChI | InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)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=C(C=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 |
