Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000232
PROPERTIES
| NPAID | NPA000232 |
|---|---|
| CLUSTER ID | 196 |
| NODE ID | 184 |
| NAME | Beticolin 0 |
| FORMULA | C31H23ClO12 |
| MOLECULAR WEIGHT (Da) | 622.9660 |
| ACCURATE MASS (Da) | 622.0878 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cercospora |
| ORIGIN SPECIES | beticola |
| InChIKey | LATFATAGFWRKGB-QLFXGZKSSA-N |
| InChI | InChI=1S/C31H23ClO12/c1-9-7-30-8-10-16(15(9)24(38)21(30)25(39)17-11(33)3-4-12(34)18(17)28(30)41)23(37)19-26(40)20-13(35)5-6-14(36)31(20,29(42)43-2)44-27(19)22(10)32/h3-4,7,14-15,33-34,36-37,39-40H,5-6,8H2,1-2H3/t14-,15-,30-,31-/m1/s1 |
| SMILES | CC1=C[C@@]23CC4=C(C5=C(C(=C4[C@@H]1C(=O)C2=C(C6=C(C=CC(=C6C3=O)O)O)O)O)C(=C7C(=O)CC[C@H]([C@]7(O5)C(=O)OC)O)O)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ducrot, P.-H.; Einhorn, J.; Kerhoas, L.; Lallemand, J.-Y.; Milat, M.-L.; Blein, J.-P.; Neuman, A.; Prangé, T. Cercospora beticola toxins. Part XI1: Isolation and structure of beticolin 0 Tetrahedron Letters 1996 37 (18) 3121-3124. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4039(96)00506-0 | PMID | - |
