Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016993
PROPERTIES
| NPAID | NPA016993 |
|---|---|
| CLUSTER ID | 5758 |
| NODE ID | 4065 |
| NAME | Cymobarbatol |
| FORMULA | C16H20Br2O2 |
| MOLECULAR WEIGHT (Da) | 404.1420 |
| ACCURATE MASS (Da) | 401.9830 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | ALTFOIOEOXFNOO-OFQRWUPVSA-N |
| InChI | InChI=1S/C16H20Br2O2/c1-15(2)13-7-9-6-11(19)10(17)8-12(9)20-16(13,3)5-4-14(15)18/h6,8,13-14,19H,4-5,7H2,1-3H3/t13-,14-,16+/m0/s1 |
| SMILES | C[C@@]12CC[C@@H](C([C@@H]1CC3=CC(=C(C=C3O2)Br)O)(C)C)Br |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wall, M e; Wani, M c; Manikumar, G; Taylor, H; Hughes, T j; Gaetano, K; Gerwick, H w; Mcphail, A t; Mcphail, D r Plant antimutagenic agents, 7. Structure and antimutagenic properties of cymobarbatol and 4-isocymobarbatol, new cymopols from green alga (Cymopolia barbata) Journal of Natural Products 1989 52 (5) 1092-1099. | ||
|---|---|---|---|
| DOI | 10.1021/np50065a028 | PMID | 2691635 |
