Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016419
PROPERTIES
| NPAID | NPA016419 |
|---|---|
| CLUSTER ID | 57 |
| NODE ID | 53 |
| NAME | Xylobovatin |
| FORMULA | C30H37NO6 |
| MOLECULAR WEIGHT (Da) | 507.6270 |
| ACCURATE MASS (Da) | 507.2621 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | obovata |
| InChIKey | ZVDZUUFSGNTNLH-YURNYXGGSA-N |
| InChI | InChI=1S/C30H37NO6/c1-15-10-9-13-20-26-29(5,37-26)17(3)22-21(14-19-11-7-6-8-12-19)31-28(34)30(20,22)27(35-18(4)32)25-24(36-25)16(2)23(15)33/h6-9,11-13,15-17,20-22,24-27H,10,14H2,1-5H3,(H,31,34)/b13-9-/t15-,16+,17?,20-,21-,22+,24?,25+,26-,27+,29+,30-/m0/s1 |
| SMILES | C[C@H]1C/C=C\[C@H]2[C@H]3[C@](O3)(C([C@H]4[C@@]2([C@@H]([C@H]5C(O5)[C@@H](C1=O)C)OC(=O)C)C(=O)N[C@H]4CC6=CC=CC=C6)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Abate, Dawit; Abraham, Wolf-Rainer; Meyer, Holger Cytochalasins and phytotoxins from the fungus Xylaria obovata Phytochemistry 1997 44 (8) 1443-1448. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(96)00780-7 | PMID | - |
