Compounds
COMPOUND NPA017796
PROPERTIES
| NPAID | NPA017796 |
|---|---|
| CLUSTER ID | 2608 |
| NODE ID | 2039 |
| NAME | Sesamin |
| FORMULA | C20H18O6 |
| MOLECULAR WEIGHT (Da) | 354.3580 |
| ACCURATE MASS (Da) | 354.1103 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. IT-44 |
| InChIKey | PEYUIKBAABKQKQ-AFHBHXEDSA-N |
| InChI | InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1 |
| SMILES | C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hsieh, Tiane-Jye; Lu, Li-Hwa; Su, Chia-Ching NMR spectroscopic, mass spectroscopic, X-ray crystallographic, and theoretical studies of molecular mechanics of natural products: farformolide B and sesamin Biophysical Chemistry 2005 114 (1) 13-20. | ||
|---|---|---|---|
| DOI | 10.1016/j.bpc.2004.10.001 | PMID | 15792856 |
