Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004174
PROPERTIES
| NPAID | NPA004174 |
|---|---|
| CLUSTER ID | 923 |
| NODE ID | 798 |
| NAME | Xyloallenolide A |
| FORMULA | C29H40N4O5 |
| MOLECULAR WEIGHT (Da) | 524.6620 |
| ACCURATE MASS (Da) | 524.2999 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | sp. (strain #2508) |
| InChIKey | KZGBTBDGCRRWLS-VCCDKZDWSA-N |
| InChI | InChI=1S/C29H40N4O5/c1-7-8-19-38-23-15-12-22(13-16-23)14-17-25(34)31-24-11-9-10-18-30-27(35)21(4)32(5)29(37)26(20(2)3)33(6)28(24)36/h8,12-17,20-21,24,26H,1,9-11,18-19H2,2-6H3,(H,30,35)(H,31,34)/b17-14+/t21-,24+,26-/m0/s1 |
| SMILES | C[C@H]1C(=O)NCCCC[C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)NC(=O)/C=C/C2=CC=C(C=C2)OCC=C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lin, Yongcheng; Wu, Xiongyu; Feng, Shuang; Jiang, Guangce; Zhou, Shining; Vrijmoed; Jones A novel N-cinnamoylcyclopeptide containing an allenic ether from the fungus Xylaria sp. (strain #2508) from the South China Sea Tetrahedron Letters 2001 42 (3) 449-451. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)01948-1 | PMID | - |
