Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004660
PROPERTIES
| NPAID | NPA004660 |
|---|---|
| CLUSTER ID | 57 |
| NODE ID | 53 |
| NAME | 19,20-Epoxycytochalasin Q |
| FORMULA | C30H37NO7 |
| MOLECULAR WEIGHT (Da) | 523.6260 |
| ACCURATE MASS (Da) | 523.2570 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | obovata |
| InChIKey | GSPOYKSHFNFUKI-HDSNRSDKSA-N |
| InChI | InChI=1S/C30H37NO7/c1-15-10-9-13-19-24-29(5,38-24)16(2)21-20(14-18-11-7-6-8-12-18)31-27(34)30(19,21)26(36-17(3)32)22-25(37-22)28(4,35)23(15)33/h6-9,11-13,15-16,19-22,24-26,35H,10,14H2,1-5H3,(H,31,34)/b13-9+/t15-,16-,19-,20-,21-,22+,24-,25+,26+,28-,29+,30-/m0/s1 |
| SMILES | C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2([C@@H]([C@H]5[C@@H](O5)[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]4CC6=CC=CC=C6)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dagne, Ermias; Gunatilaka, AA Leslie; Asmellash, Senait; Abate, Dawit; Kingston, David GI; Hofmann, Glenn A; Johnson, Randall K Two new cytotoxic cytochalasins from Xylaria obovata Tetrahedron 1994 50 (19) 5615-5620. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(01)85632-5 | PMID | - |
