Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026806
PROPERTIES
| NPAID | NPA026806 |
|---|---|
| CLUSTER ID | 8115 |
| NODE ID | 5510 |
| NAME | (+)-xylaridine D |
| FORMULA | C36H46N4O4S2 |
| MOLECULAR WEIGHT (Da) | 662.9220 |
| ACCURATE MASS (Da) | 662.2960 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | longipes |
| InChIKey | LVNGDQVJKOXPQA-LQFQNGICSA-N |
| InChI | InChI=1S/C36H46N4O4S2/c1-17-25(41)33(7,8)39-35(11)15-21-23(45-29(17)35)19(27(43)31(3,4)37-21)13-14-20-24-22(38-32(5,6)28(20)44)16-36(12)30(46-24)18(2)26(42)34(9,10)40-36/h39-40H,13-16H2,1-12H3/t35-,36-/m1/s1 |
| SMILES | CC1=C2SC3=C(CCC4=C5SC6=C(C)C(=O)C(C)(C)N[C@]6(C)CC5=NC(C)(C)C4=O)C(=O)C(C)(C)N=C3C[C@@]2(C)NC(C)(C)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Jing; Wang, Wen-Xuan; Li, Zheng-Hui; He, Juan; Huang, Rong; Zheng, Yong-Sheng; Li, Lan-Qing; Wang, Xian; Feng, Tao; Liu, Ji-Kai Xylaridines C and D, Unusual Thiopyranodipyridine Alkaloids from the Fungus Xylaria longipes Organic Letters 2019 21 (15) 6145-6148. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b02311 | PMID | 31335156 |
