Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001516
PROPERTIES
| NPAID | NPA001516 |
|---|---|
| CLUSTER ID | 394 |
| NODE ID | 11 |
| NAME | Tryptoquialanine A |
| FORMULA | C27H26N4O7 |
| MOLECULAR WEIGHT (Da) | 518.5260 |
| ACCURATE MASS (Da) | 518.1801 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | digitatum |
| InChIKey | NWBIHDXUFYUNGB-LROXJONJSA-N |
| InChI | InChI=1S/C27H26N4O7/c1-14(37-15(2)32)21-28-18-11-7-5-9-16(18)22(33)29(21)20-13-27(38-23(20)34)17-10-6-8-12-19(17)30-24(27)31(36)26(3,4)25(30)35/h5-12,14,20,24,36H,13H2,1-4H3/t14-,20+,24-,27-/m0/s1 |
| SMILES | C[C@@H](C1=NC2=CC=CC=C2C(=O)N1[C@@H]3C[C@]4([C@H]5N(C6=CC=CC=C64)C(=O)C(N5O)(C)C)OC3=O)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ariza MR; Larsen TO; Peterson BO; Duus JO; Barrero AF Penicillium digitatum metabolites on synthetic media and citrus fruits. Journal of Agricultural and Food Chemistry 2002 50 (22) 6361-6365. | ||
|---|---|---|---|
| DOI | 10.1021/jf020398d | PMID | 12381117 |
